Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:16:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Li2ZnSn.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 62 62 17 1944 1944 281 Max 63 63 18 1948 1948 284 Sum 2233 2233 625 70049 70049 10177 bravais-lattice index = 14 lattice parameter (alat) = 8.8860 a.u. unit-cell volume = 496.1368 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.885983 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sn 14.00 118.71000 Sn( 1.00) Li 3.00 6.94100 Li( 1.00) Zn 12.00 65.40900 Zn( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 317 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 2) = ( 0.0104167 -0.0060141 0.0085052), wk = 0.0031546 k( 3) = ( 0.0208333 -0.0120281 0.0170103), wk = 0.0031546 k( 4) = ( 0.0312500 -0.0180422 0.0255155), wk = 0.0031546 k( 5) = ( 0.0416667 -0.0240563 0.0340207), wk = 0.0031546 k( 6) = ( 0.0520833 -0.0300703 0.0425259), wk = 0.0031546 k( 7) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0031546 k( 8) = ( 0.0729167 -0.0420985 0.0595362), wk = 0.0031546 k( 9) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0031546 k( 10) = ( 0.0937500 -0.0541266 0.0765466), wk = 0.0031546 k( 11) = ( 0.1041667 -0.0601407 0.0850517), wk = 0.0031546 k( 12) = ( 0.1145833 -0.0661547 0.0935569), wk = 0.0031546 k( 13) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0031546 k( 14) = ( 0.1354167 -0.0781829 0.1105672), wk = 0.0031546 k( 15) = ( 0.1458333 -0.0841969 0.1190724), wk = 0.0031546 k( 16) = ( 0.1562500 -0.0902110 0.1275776), wk = 0.0031546 k( 17) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0031546 k( 18) = ( 0.1770833 -0.1022391 0.1445879), wk = 0.0031546 k( 19) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0031546 k( 20) = ( 0.1979167 -0.1142672 0.1615983), wk = 0.0031546 k( 21) = ( 0.2083333 -0.1202813 0.1701035), wk = 0.0031546 k( 22) = ( 0.2187500 -0.1262954 0.1786086), wk = 0.0031546 k( 23) = ( 0.2291667 -0.1323094 0.1871138), wk = 0.0031546 k( 24) = ( 0.2395833 -0.1383235 0.1956190), wk = 0.0031546 k( 25) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0031546 k( 26) = ( 0.2604167 -0.1503516 0.2126293), wk = 0.0031546 k( 27) = ( 0.2708333 -0.1563657 0.2211345), wk = 0.0031546 k( 28) = ( 0.2812500 -0.1623798 0.2296397), wk = 0.0031546 k( 29) = ( 0.2916667 -0.1683938 0.2381448), wk = 0.0031546 k( 30) = ( 0.3020833 -0.1744079 0.2466500), wk = 0.0031546 k( 31) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0031546 k( 32) = ( 0.3229167 -0.1864360 0.2636604), wk = 0.0031546 k( 33) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0031546 k( 34) = ( 0.3437500 -0.1984642 0.2806707), wk = 0.0031546 k( 35) = ( 0.3541667 -0.2044782 0.2891759), wk = 0.0031546 k( 36) = ( 0.3645833 -0.2104923 0.2976810), wk = 0.0031546 k( 37) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0031546 k( 38) = ( 0.3854167 -0.2225204 0.3146914), wk = 0.0031546 k( 39) = ( 0.3958333 -0.2285345 0.3231966), wk = 0.0031546 k( 40) = ( 0.4062500 -0.2345485 0.3317017), wk = 0.0031546 k( 41) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0031546 k( 42) = ( 0.4270833 -0.2465767 0.3487121), wk = 0.0031546 k( 43) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0031546 k( 44) = ( 0.4479167 -0.2586048 0.3657224), wk = 0.0031546 k( 45) = ( 0.4583333 -0.2646189 0.3742276), wk = 0.0031546 k( 46) = ( 0.4687500 -0.2706329 0.3827328), wk = 0.0031546 k( 47) = ( 0.4791667 -0.2766470 0.3912379), wk = 0.0031546 k( 48) = ( 0.4895833 -0.2826611 0.3997431), wk = 0.0031546 k( 49) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031546 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031546 k( 51) = ( 0.5000000 -0.2766470 0.4167535), wk = 0.0031546 k( 52) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0031546 k( 53) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0031546 k( 54) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0031546 k( 55) = ( 0.5000000 -0.2285345 0.4507742), wk = 0.0031546 k( 56) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0031546 k( 57) = ( 0.5000000 -0.2044782 0.4677845), wk = 0.0031546 k( 58) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0031546 k( 59) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0031546 k( 60) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0031546 k( 61) = ( 0.5000000 -0.1563657 0.5018052), wk = 0.0031546 k( 62) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0031546 k( 63) = ( 0.5000000 -0.1323094 0.5188155), wk = 0.0031546 k( 64) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0031546 k( 65) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0031546 k( 66) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0031546 k( 67) = ( 0.5000000 -0.0841969 0.5528362), wk = 0.0031546 k( 68) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0031546 k( 69) = ( 0.5000000 -0.0601406 0.5698466), wk = 0.0031546 k( 70) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0031546 k( 71) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0031546 k( 72) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0031546 k( 73) = ( 0.5000000 -0.0120281 0.6038673), wk = 0.0031546 k( 74) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031546 k( 75) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031546 k( 76) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0031546 k( 77) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0031546 k( 78) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0031546 k( 79) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0031546 k( 80) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0031546 k( 81) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0031546 k( 82) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0031546 k( 83) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0031546 k( 84) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0031546 k( 85) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0031546 k( 86) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0031546 k( 87) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0031546 k( 88) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0031546 k( 89) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0031546 k( 90) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0031546 k( 91) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0031546 k( 92) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031546 k( 93) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031546 k( 94) = ( 0.3676471 0.2122611 0.6003651), wk = 0.0031546 k( 95) = ( 0.3602941 0.2080159 0.5883578), wk = 0.0031546 k( 96) = ( 0.3529412 0.2037707 0.5763505), wk = 0.0031546 k( 97) = ( 0.3455882 0.1995255 0.5643432), wk = 0.0031546 k( 98) = ( 0.3382353 0.1952802 0.5523359), wk = 0.0031546 k( 99) = ( 0.3308823 0.1910350 0.5403286), wk = 0.0031546 k( 100) = ( 0.3235294 0.1867898 0.5283213), wk = 0.0031546 k( 101) = ( 0.3161765 0.1825446 0.5163140), wk = 0.0031546 k( 102) = ( 0.3088235 0.1782993 0.5043067), wk = 0.0031546 k( 103) = ( 0.3014706 0.1740541 0.4922994), wk = 0.0031546 k( 104) = ( 0.2941177 0.1698089 0.4802921), wk = 0.0031546 k( 105) = ( 0.2867647 0.1655637 0.4682848), wk = 0.0031546 k( 106) = ( 0.2794118 0.1613185 0.4562775), wk = 0.0031546 k( 107) = ( 0.2720588 0.1570732 0.4442702), wk = 0.0031546 k( 108) = ( 0.2647059 0.1528280 0.4322629), wk = 0.0031546 k( 109) = ( 0.2573529 0.1485828 0.4202556), wk = 0.0031546 k( 110) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0031546 k( 111) = ( 0.2426471 0.1400923 0.3962410), wk = 0.0031546 k( 112) = ( 0.2352941 0.1358471 0.3842337), wk = 0.0031546 k( 113) = ( 0.2279412 0.1316019 0.3722264), wk = 0.0031546 k( 114) = ( 0.2205882 0.1273567 0.3602191), wk = 0.0031546 k( 115) = ( 0.2132353 0.1231115 0.3482118), wk = 0.0031546 k( 116) = ( 0.2058823 0.1188662 0.3362045), wk = 0.0031546 k( 117) = ( 0.1985294 0.1146210 0.3241972), wk = 0.0031546 k( 118) = ( 0.1911765 0.1103758 0.3121899), wk = 0.0031546 k( 119) = ( 0.1838235 0.1061306 0.3001826), wk = 0.0031546 k( 120) = ( 0.1764706 0.1018853 0.2881753), wk = 0.0031546 k( 121) = ( 0.1691177 0.0976401 0.2761680), wk = 0.0031546 k( 122) = ( 0.1617647 0.0933949 0.2641607), wk = 0.0031546 k( 123) = ( 0.1544118 0.0891497 0.2521534), wk = 0.0031546 k( 124) = ( 0.1470588 0.0849044 0.2401461), wk = 0.0031546 k( 125) = ( 0.1397059 0.0806592 0.2281387), wk = 0.0031546 k( 126) = ( 0.1323529 0.0764140 0.2161314), wk = 0.0031546 k( 127) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0031546 k( 128) = ( 0.1176471 0.0679236 0.1921168), wk = 0.0031546 k( 129) = ( 0.1102941 0.0636783 0.1801095), wk = 0.0031546 k( 130) = ( 0.1029412 0.0594331 0.1681022), wk = 0.0031546 k( 131) = ( 0.0955882 0.0551879 0.1560949), wk = 0.0031546 k( 132) = ( 0.0882353 0.0509427 0.1440876), wk = 0.0031546 k( 133) = ( 0.0808824 0.0466974 0.1320803), wk = 0.0031546 k( 134) = ( 0.0735294 0.0424522 0.1200730), wk = 0.0031546 k( 135) = ( 0.0661765 0.0382070 0.1080657), wk = 0.0031546 k( 136) = ( 0.0588235 0.0339618 0.0960584), wk = 0.0031546 k( 137) = ( 0.0514706 0.0297166 0.0840511), wk = 0.0031546 k( 138) = ( 0.0441177 0.0254713 0.0720438), wk = 0.0031546 k( 139) = ( 0.0367647 0.0212261 0.0600365), wk = 0.0031546 k( 140) = ( 0.0294118 0.0169809 0.0480292), wk = 0.0031546 k( 141) = ( 0.0220588 0.0127357 0.0360219), wk = 0.0031546 k( 142) = ( 0.0147059 0.0084904 0.0240146), wk = 0.0031546 k( 143) = ( 0.0073529 0.0042452 0.0120073), wk = 0.0031546 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 146) = ( 0.0121951 0.0070409 0.0049786), wk = 0.0031546 k( 147) = ( 0.0243902 0.0140817 0.0099573), wk = 0.0031546 k( 148) = ( 0.0365854 0.0211226 0.0149359), wk = 0.0031546 k( 149) = ( 0.0487805 0.0281634 0.0199146), wk = 0.0031546 k( 150) = ( 0.0609756 0.0352043 0.0248932), wk = 0.0031546 k( 151) = ( 0.0731707 0.0422451 0.0298718), wk = 0.0031546 k( 152) = ( 0.0853658 0.0492860 0.0348505), wk = 0.0031546 k( 153) = ( 0.0975610 0.0563269 0.0398291), wk = 0.0031546 k( 154) = ( 0.1097561 0.0633677 0.0448077), wk = 0.0031546 k( 155) = ( 0.1219512 0.0704086 0.0497864), wk = 0.0031546 k( 156) = ( 0.1341463 0.0774494 0.0547650), wk = 0.0031546 k( 157) = ( 0.1463415 0.0844903 0.0597437), wk = 0.0031546 k( 158) = ( 0.1585366 0.0915311 0.0647223), wk = 0.0031546 k( 159) = ( 0.1707317 0.0985720 0.0697009), wk = 0.0031546 k( 160) = ( 0.1829268 0.1056129 0.0746796), wk = 0.0031546 k( 161) = ( 0.1951219 0.1126537 0.0796582), wk = 0.0031546 k( 162) = ( 0.2073171 0.1196946 0.0846368), wk = 0.0031546 k( 163) = ( 0.2195122 0.1267354 0.0896155), wk = 0.0031546 k( 164) = ( 0.2317073 0.1337763 0.0945941), wk = 0.0031546 k( 165) = ( 0.2439024 0.1408171 0.0995728), wk = 0.0031546 k( 166) = ( 0.2560976 0.1478580 0.1045514), wk = 0.0031546 k( 167) = ( 0.2682927 0.1548989 0.1095300), wk = 0.0031546 k( 168) = ( 0.2804878 0.1619397 0.1145087), wk = 0.0031546 k( 169) = ( 0.2926829 0.1689806 0.1194873), wk = 0.0031546 k( 170) = ( 0.3048781 0.1760214 0.1244659), wk = 0.0031546 k( 171) = ( 0.3170732 0.1830623 0.1294446), wk = 0.0031546 k( 172) = ( 0.3292683 0.1901031 0.1344232), wk = 0.0031546 k( 173) = ( 0.3414634 0.1971440 0.1394019), wk = 0.0031546 k( 174) = ( 0.3536585 0.2041849 0.1443805), wk = 0.0031546 k( 175) = ( 0.3658537 0.2112257 0.1493591), wk = 0.0031546 k( 176) = ( 0.3780488 0.2182666 0.1543378), wk = 0.0031546 k( 177) = ( 0.3902439 0.2253074 0.1593164), wk = 0.0031546 k( 178) = ( 0.4024390 0.2323483 0.1642950), wk = 0.0031546 k( 179) = ( 0.4146341 0.2393891 0.1692737), wk = 0.0031546 k( 180) = ( 0.4268293 0.2464300 0.1742523), wk = 0.0031546 k( 181) = ( 0.4390244 0.2534708 0.1792310), wk = 0.0031546 k( 182) = ( 0.4512195 0.2605117 0.1842096), wk = 0.0031546 k( 183) = ( 0.4634146 0.2675526 0.1891882), wk = 0.0031546 k( 184) = ( 0.4756098 0.2745934 0.1941669), wk = 0.0031546 k( 185) = ( 0.4878049 0.2816343 0.1991455), wk = 0.0031546 k( 186) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031546 k( 187) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031546 k( 188) = ( 0.5043103 0.2762322 0.2111629), wk = 0.0031546 k( 189) = ( 0.5086207 0.2637893 0.2182017), wk = 0.0031546 k( 190) = ( 0.5129310 0.2513465 0.2252404), wk = 0.0031546 k( 191) = ( 0.5172414 0.2389036 0.2322792), wk = 0.0031546 k( 192) = ( 0.5215517 0.2264607 0.2393180), wk = 0.0031546 k( 193) = ( 0.5258621 0.2140178 0.2463567), wk = 0.0031546 k( 194) = ( 0.5301724 0.2015749 0.2533955), wk = 0.0031546 k( 195) = ( 0.5344828 0.1891320 0.2604343), wk = 0.0031546 k( 196) = ( 0.5387931 0.1766891 0.2674730), wk = 0.0031546 k( 197) = ( 0.5431035 0.1642462 0.2745118), wk = 0.0031546 k( 198) = ( 0.5474138 0.1518033 0.2815505), wk = 0.0031546 k( 199) = ( 0.5517241 0.1393604 0.2885893), wk = 0.0031546 k( 200) = ( 0.5560345 0.1269175 0.2956281), wk = 0.0031546 k( 201) = ( 0.5603448 0.1144746 0.3026668), wk = 0.0031546 k( 202) = ( 0.5646552 0.1020317 0.3097056), wk = 0.0031546 k( 203) = ( 0.5689655 0.0895888 0.3167444), wk = 0.0031546 k( 204) = ( 0.5732759 0.0771459 0.3237831), wk = 0.0031546 k( 205) = ( 0.5775862 0.0647030 0.3308219), wk = 0.0031546 k( 206) = ( 0.5818965 0.0522602 0.3378607), wk = 0.0031546 k( 207) = ( 0.5862069 0.0398173 0.3448994), wk = 0.0031546 k( 208) = ( 0.5905172 0.0273744 0.3519382), wk = 0.0031546 k( 209) = ( 0.5948276 0.0149315 0.3589769), wk = 0.0031546 k( 210) = ( 0.5991379 0.0024886 0.3660157), wk = 0.0031546 k( 211) = ( 0.6034483 -0.0099543 0.3730545), wk = 0.0031546 k( 212) = ( 0.6077586 -0.0223972 0.3800932), wk = 0.0031546 k( 213) = ( 0.6120690 -0.0348401 0.3871320), wk = 0.0031546 k( 214) = ( 0.6163793 -0.0472830 0.3941708), wk = 0.0031546 k( 215) = ( 0.6206897 -0.0597259 0.4012095), wk = 0.0031546 k( 216) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031546 k( 217) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031546 k( 218) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0031546 k( 219) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0031546 k( 220) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0031546 k( 221) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0031546 k( 222) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0031546 k( 223) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0031546 k( 224) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0031546 k( 225) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0031546 k( 226) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0031546 k( 227) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0031546 k( 228) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0031546 k( 229) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0031546 k( 230) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0031546 k( 231) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0031546 k( 232) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0031546 k( 233) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0031546 k( 234) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031546 k( 235) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031546 k( 236) = ( 0.5000000 0.0084904 0.6003651), wk = 0.0031546 k( 237) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0031546 k( 238) = ( 0.5000000 0.0254713 0.5763505), wk = 0.0031546 k( 239) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0031546 k( 240) = ( 0.5000000 0.0424522 0.5523359), wk = 0.0031546 k( 241) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0031546 k( 242) = ( 0.5000000 0.0594331 0.5283213), wk = 0.0031546 k( 243) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0031546 k( 244) = ( 0.5000000 0.0764140 0.5043067), wk = 0.0031546 k( 245) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0031546 k( 246) = ( 0.5000000 0.0933949 0.4802921), wk = 0.0031546 k( 247) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0031546 k( 248) = ( 0.5000000 0.1103758 0.4562775), wk = 0.0031546 k( 249) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0031546 k( 250) = ( 0.5000000 0.1273567 0.4322629), wk = 0.0031546 k( 251) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0031546 k( 252) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0031546 k( 253) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0031546 k( 254) = ( 0.5000000 0.1613185 0.3842337), wk = 0.0031546 k( 255) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0031546 k( 256) = ( 0.5000000 0.1782993 0.3602191), wk = 0.0031546 k( 257) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0031546 k( 258) = ( 0.5000000 0.1952802 0.3362045), wk = 0.0031546 k( 259) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0031546 k( 260) = ( 0.5000000 0.2122611 0.3121899), wk = 0.0031546 k( 261) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0031546 k( 262) = ( 0.5000000 0.2292420 0.2881753), wk = 0.0031546 k( 263) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0031546 k( 264) = ( 0.5000000 0.2462229 0.2641607), wk = 0.0031546 k( 265) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0031546 k( 266) = ( 0.5000000 0.2632038 0.2401460), wk = 0.0031546 k( 267) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0031546 k( 268) = ( 0.5000000 0.2801847 0.2161314), wk = 0.0031546 k( 269) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031546 k( 270) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031546 k( 271) = ( 0.4956897 0.2861866 0.2182017), wk = 0.0031546 k( 272) = ( 0.4913793 0.2836980 0.2322792), wk = 0.0031546 k( 273) = ( 0.4870690 0.2812094 0.2463567), wk = 0.0031546 k( 274) = ( 0.4827586 0.2787208 0.2604343), wk = 0.0031546 k( 275) = ( 0.4784483 0.2762322 0.2745118), wk = 0.0031546 k( 276) = ( 0.4741379 0.2737437 0.2885893), wk = 0.0031546 k( 277) = ( 0.4698276 0.2712551 0.3026668), wk = 0.0031546 k( 278) = ( 0.4655172 0.2687665 0.3167444), wk = 0.0031546 k( 279) = ( 0.4612069 0.2662779 0.3308219), wk = 0.0031546 k( 280) = ( 0.4568966 0.2637893 0.3448994), wk = 0.0031546 k( 281) = ( 0.4525862 0.2613008 0.3589769), wk = 0.0031546 k( 282) = ( 0.4482759 0.2588122 0.3730545), wk = 0.0031546 k( 283) = ( 0.4439655 0.2563236 0.3871320), wk = 0.0031546 k( 284) = ( 0.4396552 0.2538350 0.4012095), wk = 0.0031546 k( 285) = ( 0.4353448 0.2513465 0.4152870), wk = 0.0031546 k( 286) = ( 0.4310345 0.2488579 0.4293646), wk = 0.0031546 k( 287) = ( 0.4267241 0.2463693 0.4434421), wk = 0.0031546 k( 288) = ( 0.4224138 0.2438807 0.4575196), wk = 0.0031546 k( 289) = ( 0.4181034 0.2413921 0.4715972), wk = 0.0031546 k( 290) = ( 0.4137931 0.2389036 0.4856747), wk = 0.0031546 k( 291) = ( 0.4094828 0.2364150 0.4997522), wk = 0.0031546 k( 292) = ( 0.4051724 0.2339264 0.5138297), wk = 0.0031546 k( 293) = ( 0.4008621 0.2314378 0.5279073), wk = 0.0031546 k( 294) = ( 0.3965517 0.2289492 0.5419848), wk = 0.0031546 k( 295) = ( 0.3922414 0.2264607 0.5560623), wk = 0.0031546 k( 296) = ( 0.3879310 0.2239721 0.5701399), wk = 0.0031546 k( 297) = ( 0.3836207 0.2214835 0.5842174), wk = 0.0031546 k( 298) = ( 0.3793103 0.2189949 0.5982949), wk = 0.0031546 k( 299) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031546 k( 300) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031546 k( 301) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0031546 k( 302) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0031546 k( 303) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0031546 k( 304) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0031546 k( 305) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0031546 k( 306) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0031546 k( 307) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0031546 k( 308) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0031546 k( 309) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0031546 k( 310) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0031546 k( 311) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0031546 k( 312) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0031546 k( 313) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0031546 k( 314) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0031546 k( 315) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0031546 k( 316) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0031546 k( 317) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031546 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 2) = ( 0.0104167 -0.0000000 0.0104167), wk = 0.0031546 k( 3) = ( 0.0208333 -0.0000000 0.0208333), wk = 0.0031546 k( 4) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0031546 k( 5) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0031546 k( 6) = ( 0.0520833 -0.0000000 0.0520833), wk = 0.0031546 k( 7) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0031546 k( 8) = ( 0.0729167 -0.0000000 0.0729167), wk = 0.0031546 k( 9) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0031546 k( 10) = ( 0.0937500 0.0000000 0.0937500), wk = 0.0031546 k( 11) = ( 0.1041667 -0.0000000 0.1041667), wk = 0.0031546 k( 12) = ( 0.1145833 0.0000000 0.1145833), wk = 0.0031546 k( 13) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0031546 k( 14) = ( 0.1354167 -0.0000000 0.1354167), wk = 0.0031546 k( 15) = ( 0.1458333 -0.0000000 0.1458333), wk = 0.0031546 k( 16) = ( 0.1562500 -0.0000000 0.1562500), wk = 0.0031546 k( 17) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0031546 k( 18) = ( 0.1770833 -0.0000000 0.1770833), wk = 0.0031546 k( 19) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0031546 k( 20) = ( 0.1979167 -0.0000000 0.1979167), wk = 0.0031546 k( 21) = ( 0.2083333 -0.0000000 0.2083333), wk = 0.0031546 k( 22) = ( 0.2187500 -0.0000000 0.2187500), wk = 0.0031546 k( 23) = ( 0.2291667 -0.0000000 0.2291667), wk = 0.0031546 k( 24) = ( 0.2395833 -0.0000000 0.2395833), wk = 0.0031546 k( 25) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0031546 k( 26) = ( 0.2604167 -0.0000000 0.2604167), wk = 0.0031546 k( 27) = ( 0.2708333 -0.0000000 0.2708333), wk = 0.0031546 k( 28) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0031546 k( 29) = ( 0.2916667 -0.0000000 0.2916667), wk = 0.0031546 k( 30) = ( 0.3020833 -0.0000000 0.3020833), wk = 0.0031546 k( 31) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0031546 k( 32) = ( 0.3229167 -0.0000000 0.3229167), wk = 0.0031546 k( 33) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0031546 k( 34) = ( 0.3437500 -0.0000000 0.3437500), wk = 0.0031546 k( 35) = ( 0.3541667 -0.0000000 0.3541667), wk = 0.0031546 k( 36) = ( 0.3645833 -0.0000000 0.3645833), wk = 0.0031546 k( 37) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0031546 k( 38) = ( 0.3854167 -0.0000000 0.3854167), wk = 0.0031546 k( 39) = ( 0.3958333 -0.0000000 0.3958333), wk = 0.0031546 k( 40) = ( 0.4062500 -0.0000000 0.4062500), wk = 0.0031546 k( 41) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0031546 k( 42) = ( 0.4270833 -0.0000000 0.4270833), wk = 0.0031546 k( 43) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0031546 k( 44) = ( 0.4479167 0.0000000 0.4479167), wk = 0.0031546 k( 45) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0031546 k( 46) = ( 0.4687500 0.0000000 0.4687500), wk = 0.0031546 k( 47) = ( 0.4791667 0.0000000 0.4791667), wk = 0.0031546 k( 48) = ( 0.4895833 0.0000000 0.4895833), wk = 0.0031546 k( 49) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031546 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031546 k( 51) = ( 0.5000000 0.0104167 0.5104167), wk = 0.0031546 k( 52) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0031546 k( 53) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0031546 k( 54) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0031546 k( 55) = ( 0.5000000 0.0520833 0.5520833), wk = 0.0031546 k( 56) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0031546 k( 57) = ( 0.5000000 0.0729167 0.5729167), wk = 0.0031546 k( 58) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0031546 k( 59) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0031546 k( 60) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0031546 k( 61) = ( 0.5000000 0.1145833 0.6145833), wk = 0.0031546 k( 62) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0031546 k( 63) = ( 0.5000000 0.1354167 0.6354167), wk = 0.0031546 k( 64) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0031546 k( 65) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0031546 k( 66) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0031546 k( 67) = ( 0.5000000 0.1770833 0.6770833), wk = 0.0031546 k( 68) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0031546 k( 69) = ( 0.5000000 0.1979167 0.6979167), wk = 0.0031546 k( 70) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0031546 k( 71) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0031546 k( 72) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0031546 k( 73) = ( 0.5000000 0.2395833 0.7395833), wk = 0.0031546 k( 74) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031546 k( 75) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031546 k( 76) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0031546 k( 77) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0031546 k( 78) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0031546 k( 79) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0031546 k( 80) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0031546 k( 81) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0031546 k( 82) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0031546 k( 83) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0031546 k( 84) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0031546 k( 85) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0031546 k( 86) = ( 0.4191177 0.3308823 0.7500000), wk = 0.0031546 k( 87) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0031546 k( 88) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0031546 k( 89) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0031546 k( 90) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0031546 k( 91) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0031546 k( 92) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031546 k( 93) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031546 k( 94) = ( 0.3676471 0.3676471 0.7352941), wk = 0.0031546 k( 95) = ( 0.3602941 0.3602941 0.7205882), wk = 0.0031546 k( 96) = ( 0.3529412 0.3529412 0.7058823), wk = 0.0031546 k( 97) = ( 0.3455882 0.3455882 0.6911765), wk = 0.0031546 k( 98) = ( 0.3382353 0.3382353 0.6764706), wk = 0.0031546 k( 99) = ( 0.3308823 0.3308823 0.6617647), wk = 0.0031546 k( 100) = ( 0.3235294 0.3235294 0.6470588), wk = 0.0031546 k( 101) = ( 0.3161765 0.3161765 0.6323529), wk = 0.0031546 k( 102) = ( 0.3088235 0.3088235 0.6176471), wk = 0.0031546 k( 103) = ( 0.3014706 0.3014706 0.6029412), wk = 0.0031546 k( 104) = ( 0.2941177 0.2941177 0.5882353), wk = 0.0031546 k( 105) = ( 0.2867647 0.2867647 0.5735294), wk = 0.0031546 k( 106) = ( 0.2794118 0.2794118 0.5588235), wk = 0.0031546 k( 107) = ( 0.2720588 0.2720588 0.5441176), wk = 0.0031546 k( 108) = ( 0.2647059 0.2647059 0.5294118), wk = 0.0031546 k( 109) = ( 0.2573529 0.2573529 0.5147059), wk = 0.0031546 k( 110) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031546 k( 111) = ( 0.2426471 0.2426471 0.4852941), wk = 0.0031546 k( 112) = ( 0.2352941 0.2352941 0.4705882), wk = 0.0031546 k( 113) = ( 0.2279412 0.2279412 0.4558823), wk = 0.0031546 k( 114) = ( 0.2205882 0.2205882 0.4411765), wk = 0.0031546 k( 115) = ( 0.2132353 0.2132353 0.4264706), wk = 0.0031546 k( 116) = ( 0.2058823 0.2058823 0.4117647), wk = 0.0031546 k( 117) = ( 0.1985294 0.1985294 0.3970588), wk = 0.0031546 k( 118) = ( 0.1911765 0.1911765 0.3823529), wk = 0.0031546 k( 119) = ( 0.1838235 0.1838235 0.3676471), wk = 0.0031546 k( 120) = ( 0.1764706 0.1764706 0.3529412), wk = 0.0031546 k( 121) = ( 0.1691177 0.1691177 0.3382353), wk = 0.0031546 k( 122) = ( 0.1617647 0.1617647 0.3235294), wk = 0.0031546 k( 123) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0031546 k( 124) = ( 0.1470588 0.1470588 0.2941176), wk = 0.0031546 k( 125) = ( 0.1397059 0.1397059 0.2794118), wk = 0.0031546 k( 126) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0031546 k( 127) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0031546 k( 128) = ( 0.1176471 0.1176471 0.2352941), wk = 0.0031546 k( 129) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0031546 k( 130) = ( 0.1029412 0.1029412 0.2058823), wk = 0.0031546 k( 131) = ( 0.0955882 0.0955882 0.1911765), wk = 0.0031546 k( 132) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0031546 k( 133) = ( 0.0808824 0.0808824 0.1617647), wk = 0.0031546 k( 134) = ( 0.0735294 0.0735294 0.1470588), wk = 0.0031546 k( 135) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0031546 k( 136) = ( 0.0588235 0.0588235 0.1176471), wk = 0.0031546 k( 137) = ( 0.0514706 0.0514706 0.1029412), wk = 0.0031546 k( 138) = ( 0.0441177 0.0441177 0.0882353), wk = 0.0031546 k( 139) = ( 0.0367647 0.0367647 0.0735294), wk = 0.0031546 k( 140) = ( 0.0294118 0.0294118 0.0588235), wk = 0.0031546 k( 141) = ( 0.0220588 0.0220588 0.0441176), wk = 0.0031546 k( 142) = ( 0.0147059 0.0147059 0.0294118), wk = 0.0031546 k( 143) = ( 0.0073529 0.0073529 0.0147059), wk = 0.0031546 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 146) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0031546 k( 147) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0031546 k( 148) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0031546 k( 149) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0031546 k( 150) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0031546 k( 151) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0031546 k( 152) = ( 0.0853658 0.0853658 0.0853658), wk = 0.0031546 k( 153) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0031546 k( 154) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0031546 k( 155) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0031546 k( 156) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0031546 k( 157) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0031546 k( 158) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0031546 k( 159) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0031546 k( 160) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0031546 k( 161) = ( 0.1951219 0.1951219 0.1951219), wk = 0.0031546 k( 162) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0031546 k( 163) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0031546 k( 164) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0031546 k( 165) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0031546 k( 166) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0031546 k( 167) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0031546 k( 168) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0031546 k( 169) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0031546 k( 170) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0031546 k( 171) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0031546 k( 172) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0031546 k( 173) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0031546 k( 174) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0031546 k( 175) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0031546 k( 176) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0031546 k( 177) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0031546 k( 178) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0031546 k( 179) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0031546 k( 180) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0031546 k( 181) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0031546 k( 182) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0031546 k( 183) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0031546 k( 184) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0031546 k( 185) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0031546 k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031546 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031546 k( 188) = ( 0.5043103 0.4913793 0.5043103), wk = 0.0031546 k( 189) = ( 0.5086207 0.4827586 0.5086207), wk = 0.0031546 k( 190) = ( 0.5129310 0.4741379 0.5129310), wk = 0.0031546 k( 191) = ( 0.5172414 0.4655172 0.5172414), wk = 0.0031546 k( 192) = ( 0.5215517 0.4568966 0.5215517), wk = 0.0031546 k( 193) = ( 0.5258621 0.4482759 0.5258621), wk = 0.0031546 k( 194) = ( 0.5301724 0.4396552 0.5301724), wk = 0.0031546 k( 195) = ( 0.5344828 0.4310345 0.5344828), wk = 0.0031546 k( 196) = ( 0.5387931 0.4224138 0.5387931), wk = 0.0031546 k( 197) = ( 0.5431035 0.4137931 0.5431035), wk = 0.0031546 k( 198) = ( 0.5474138 0.4051724 0.5474138), wk = 0.0031546 k( 199) = ( 0.5517241 0.3965517 0.5517241), wk = 0.0031546 k( 200) = ( 0.5560345 0.3879310 0.5560345), wk = 0.0031546 k( 201) = ( 0.5603448 0.3793103 0.5603448), wk = 0.0031546 k( 202) = ( 0.5646552 0.3706897 0.5646552), wk = 0.0031546 k( 203) = ( 0.5689655 0.3620690 0.5689655), wk = 0.0031546 k( 204) = ( 0.5732759 0.3534483 0.5732759), wk = 0.0031546 k( 205) = ( 0.5775862 0.3448276 0.5775862), wk = 0.0031546 k( 206) = ( 0.5818965 0.3362069 0.5818965), wk = 0.0031546 k( 207) = ( 0.5862069 0.3275862 0.5862069), wk = 0.0031546 k( 208) = ( 0.5905172 0.3189655 0.5905172), wk = 0.0031546 k( 209) = ( 0.5948276 0.3103448 0.5948276), wk = 0.0031546 k( 210) = ( 0.5991379 0.3017241 0.5991379), wk = 0.0031546 k( 211) = ( 0.6034483 0.2931034 0.6034483), wk = 0.0031546 k( 212) = ( 0.6077586 0.2844828 0.6077586), wk = 0.0031546 k( 213) = ( 0.6120690 0.2758621 0.6120690), wk = 0.0031546 k( 214) = ( 0.6163793 0.2672414 0.6163793), wk = 0.0031546 k( 215) = ( 0.6206897 0.2586207 0.6206897), wk = 0.0031546 k( 216) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031546 k( 217) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031546 k( 218) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031546 k( 219) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031546 k( 220) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031546 k( 221) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031546 k( 222) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031546 k( 223) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031546 k( 224) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031546 k( 225) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031546 k( 226) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031546 k( 227) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031546 k( 228) = ( 0.5441177 0.2500000 0.7058823), wk = 0.0031546 k( 229) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0031546 k( 230) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0031546 k( 231) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0031546 k( 232) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0031546 k( 233) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0031546 k( 234) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031546 k( 235) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031546 k( 236) = ( 0.5000000 0.2573529 0.7426471), wk = 0.0031546 k( 237) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0031546 k( 238) = ( 0.5000000 0.2720588 0.7279412), wk = 0.0031546 k( 239) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0031546 k( 240) = ( 0.5000000 0.2867647 0.7132353), wk = 0.0031546 k( 241) = ( 0.5000000 0.2941177 0.7058823), wk = 0.0031546 k( 242) = ( 0.5000000 0.3014706 0.6985294), wk = 0.0031546 k( 243) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0031546 k( 244) = ( 0.5000000 0.3161765 0.6838235), wk = 0.0031546 k( 245) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0031546 k( 246) = ( 0.5000000 0.3308823 0.6691177), wk = 0.0031546 k( 247) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0031546 k( 248) = ( 0.5000000 0.3455882 0.6544118), wk = 0.0031546 k( 249) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0031546 k( 250) = ( 0.5000000 0.3602941 0.6397059), wk = 0.0031546 k( 251) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0031546 k( 252) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0031546 k( 253) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0031546 k( 254) = ( 0.5000000 0.3897059 0.6102941), wk = 0.0031546 k( 255) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0031546 k( 256) = ( 0.5000000 0.4044118 0.5955882), wk = 0.0031546 k( 257) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0031546 k( 258) = ( 0.5000000 0.4191177 0.5808823), wk = 0.0031546 k( 259) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0031546 k( 260) = ( 0.5000000 0.4338235 0.5661765), wk = 0.0031546 k( 261) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0031546 k( 262) = ( 0.5000000 0.4485294 0.5514706), wk = 0.0031546 k( 263) = ( 0.5000000 0.4558823 0.5441177), wk = 0.0031546 k( 264) = ( 0.5000000 0.4632353 0.5367647), wk = 0.0031546 k( 265) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0031546 k( 266) = ( 0.5000000 0.4779412 0.5220588), wk = 0.0031546 k( 267) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0031546 k( 268) = ( 0.5000000 0.4926471 0.5073529), wk = 0.0031546 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031546 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031546 k( 271) = ( 0.4956897 0.4956897 0.5086207), wk = 0.0031546 k( 272) = ( 0.4913793 0.4913793 0.5172414), wk = 0.0031546 k( 273) = ( 0.4870690 0.4870690 0.5258621), wk = 0.0031546 k( 274) = ( 0.4827586 0.4827586 0.5344828), wk = 0.0031546 k( 275) = ( 0.4784483 0.4784483 0.5431034), wk = 0.0031546 k( 276) = ( 0.4741379 0.4741379 0.5517241), wk = 0.0031546 k( 277) = ( 0.4698276 0.4698276 0.5603448), wk = 0.0031546 k( 278) = ( 0.4655172 0.4655172 0.5689655), wk = 0.0031546 k( 279) = ( 0.4612069 0.4612069 0.5775862), wk = 0.0031546 k( 280) = ( 0.4568966 0.4568966 0.5862069), wk = 0.0031546 k( 281) = ( 0.4525862 0.4525862 0.5948276), wk = 0.0031546 k( 282) = ( 0.4482759 0.4482759 0.6034483), wk = 0.0031546 k( 283) = ( 0.4439655 0.4439655 0.6120690), wk = 0.0031546 k( 284) = ( 0.4396552 0.4396552 0.6206897), wk = 0.0031546 k( 285) = ( 0.4353448 0.4353448 0.6293103), wk = 0.0031546 k( 286) = ( 0.4310345 0.4310345 0.6379310), wk = 0.0031546 k( 287) = ( 0.4267241 0.4267241 0.6465517), wk = 0.0031546 k( 288) = ( 0.4224138 0.4224138 0.6551724), wk = 0.0031546 k( 289) = ( 0.4181034 0.4181034 0.6637931), wk = 0.0031546 k( 290) = ( 0.4137931 0.4137931 0.6724138), wk = 0.0031546 k( 291) = ( 0.4094828 0.4094828 0.6810345), wk = 0.0031546 k( 292) = ( 0.4051724 0.4051724 0.6896552), wk = 0.0031546 k( 293) = ( 0.4008621 0.4008621 0.6982759), wk = 0.0031546 k( 294) = ( 0.3965517 0.3965517 0.7068965), wk = 0.0031546 k( 295) = ( 0.3922414 0.3922414 0.7155172), wk = 0.0031546 k( 296) = ( 0.3879310 0.3879310 0.7241379), wk = 0.0031546 k( 297) = ( 0.3836207 0.3836207 0.7327586), wk = 0.0031546 k( 298) = ( 0.3793103 0.3793103 0.7413793), wk = 0.0031546 k( 299) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031546 k( 300) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031546 k( 301) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0031546 k( 302) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0031546 k( 303) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0031546 k( 304) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0031546 k( 305) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0031546 k( 306) = ( 0.5808823 0.1617647 0.5808823), wk = 0.0031546 k( 307) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0031546 k( 308) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0031546 k( 309) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0031546 k( 310) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0031546 k( 311) = ( 0.5441177 0.0882353 0.5441177), wk = 0.0031546 k( 312) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0031546 k( 313) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0031546 k( 314) = ( 0.5220588 0.0441176 0.5220588), wk = 0.0031546 k( 315) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0031546 k( 316) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0031546 k( 317) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031546 Dense grid: 70049 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 490, 40) NL pseudopotentials 0.36 Mb ( 245, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1945) G-vector shells 0.00 Mb ( 484) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.20 Mb ( 490, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Li2ZnSn.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.4 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.4 secs Computing kpt #: 12 total cpu time spent up to now is 8.9 secs Computing kpt #: 13 total cpu time spent up to now is 9.4 secs Computing kpt #: 14 total cpu time spent up to now is 9.9 secs Computing kpt #: 15 total cpu time spent up to now is 10.4 secs Computing kpt #: 16 total cpu time spent up to now is 10.9 secs Computing kpt #: 17 total cpu time spent up to now is 11.4 secs Computing kpt #: 18 total cpu time spent up to now is 11.9 secs Computing kpt #: 19 total cpu time spent up to now is 12.4 secs Computing kpt #: 20 total cpu time spent up to now is 12.9 secs Computing kpt #: 21 total cpu time spent up to now is 13.4 secs Computing kpt #: 22 total cpu time spent up to now is 13.9 secs Computing kpt #: 23 total cpu time spent up to now is 14.4 secs Computing kpt #: 24 total cpu time spent up to now is 14.8 secs Computing kpt #: 25 total cpu time spent up to now is 15.3 secs Computing kpt #: 26 total cpu time spent up to now is 15.8 secs Computing kpt #: 27 total cpu time spent up to now is 16.4 secs Computing kpt #: 28 total cpu time spent up to now is 16.9 secs Computing kpt #: 29 total cpu time spent up to now is 17.5 secs Computing kpt #: 30 total cpu time spent up to now is 18.1 secs Computing kpt #: 31 total cpu time spent up to now is 18.6 secs Computing kpt #: 32 total cpu time spent up to now is 19.2 secs Computing kpt #: 33 total cpu time spent up to now is 19.7 secs Computing kpt #: 34 total cpu time spent up to now is 20.1 secs Computing kpt #: 35 total cpu time spent up to now is 20.6 secs Computing kpt #: 36 total cpu time spent up to now is 21.0 secs Computing kpt #: 37 total cpu time spent up to now is 21.4 secs Computing kpt #: 38 total cpu time spent up to now is 21.9 secs Computing kpt #: 39 total cpu time spent up to now is 22.3 secs Computing kpt #: 40 total cpu time spent up to now is 22.8 secs Computing kpt #: 41 total cpu time spent up to now is 23.2 secs Computing kpt #: 42 total cpu time spent up to now is 23.7 secs Computing kpt #: 43 total cpu time spent up to now is 24.1 secs Computing kpt #: 44 total cpu time spent up to now is 24.5 secs Computing kpt #: 45 total cpu time spent up to now is 24.9 secs Computing kpt #: 46 total cpu time spent up to now is 25.4 secs Computing kpt #: 47 total cpu time spent up to now is 25.8 secs Computing kpt #: 48 total cpu time spent up to now is 26.2 secs Computing kpt #: 49 total cpu time spent up to now is 26.6 secs Computing kpt #: 50 total cpu time spent up to now is 27.0 secs Computing kpt #: 51 total cpu time spent up to now is 27.4 secs Computing kpt #: 52 total cpu time spent up to now is 27.8 secs Computing kpt #: 53 total cpu time spent up to now is 28.2 secs Computing kpt #: 54 total cpu time spent up to now is 28.6 secs Computing kpt #: 55 total cpu time spent up to now is 29.0 secs Computing kpt #: 56 total cpu time spent up to now is 29.4 secs Computing kpt #: 57 total cpu time spent up to now is 29.8 secs Computing kpt #: 58 total cpu time spent up to now is 30.3 secs Computing kpt #: 59 total cpu time spent up to now is 30.7 secs Computing kpt #: 60 total cpu time spent up to now is 31.2 secs Computing kpt #: 61 total cpu time spent up to now is 31.7 secs Computing kpt #: 62 total cpu time spent up to now is 32.4 secs Computing kpt #: 63 total cpu time spent up to now is 33.0 secs Computing kpt #: 64 total cpu time spent up to now is 33.6 secs Computing kpt #: 65 total cpu time spent up to now is 34.1 secs Computing kpt #: 66 total cpu time spent up to now is 34.6 secs Computing kpt #: 67 total cpu time spent up to now is 35.1 secs Computing kpt #: 68 total cpu time spent up to now is 35.6 secs Computing kpt #: 69 total cpu time spent up to now is 36.0 secs Computing kpt #: 70 total cpu time spent up to now is 36.4 secs Computing kpt #: 71 total cpu time spent up to now is 36.9 secs Computing kpt #: 72 total cpu time spent up to now is 37.5 secs Computing kpt #: 73 total cpu time spent up to now is 37.9 secs Computing kpt #: 74 total cpu time spent up to now is 38.4 secs Computing kpt #: 75 total cpu time spent up to now is 38.8 secs Computing kpt #: 76 total cpu time spent up to now is 39.2 secs Computing kpt #: 77 total cpu time spent up to now is 39.7 secs Computing kpt #: 78 total cpu time spent up to now is 40.1 secs Computing kpt #: 79 total cpu time spent up to now is 40.6 secs Computing kpt #: 80 total cpu time spent up to now is 41.0 secs Computing kpt #: 81 total cpu time spent up to now is 41.5 secs Computing kpt #: 82 total cpu time spent up to now is 41.9 secs Computing kpt #: 83 total cpu time spent up to now is 42.4 secs Computing kpt #: 84 total cpu time spent up to now is 42.9 secs Computing kpt #: 85 total cpu time spent up to now is 43.5 secs Computing kpt #: 86 total cpu time spent up to now is 44.1 secs Computing kpt #: 87 total cpu time spent up to now is 44.5 secs Computing kpt #: 88 total cpu time spent up to now is 45.0 secs Computing kpt #: 89 total cpu time spent up to now is 45.4 secs Computing kpt #: 90 total cpu time spent up to now is 45.8 secs Computing kpt #: 91 total cpu time spent up to now is 46.2 secs Computing kpt #: 92 total cpu time spent up to now is 46.6 secs Computing kpt #: 93 total cpu time spent up to now is 47.1 secs Computing kpt #: 94 total cpu time spent up to now is 47.5 secs Computing kpt #: 95 total cpu time spent up to now is 47.9 secs Computing kpt #: 96 total cpu time spent up to now is 48.4 secs Computing kpt #: 97 total cpu time spent up to now is 48.9 secs Computing kpt #: 98 total cpu time spent up to now is 49.4 secs Computing kpt #: 99 total cpu time spent up to now is 49.8 secs Computing kpt #: 100 total cpu time spent up to now is 50.4 secs Computing kpt #: 101 total cpu time spent up to now is 51.0 secs Computing kpt #: 102 total cpu time spent up to now is 51.6 secs Computing kpt #: 103 total cpu time spent up to now is 52.2 secs Computing kpt #: 104 total cpu time spent up to now is 52.7 secs Computing kpt #: 105 total cpu time spent up to now is 53.3 secs Computing kpt #: 106 total cpu time spent up to now is 53.9 secs Computing kpt #: 107 total cpu time spent up to now is 54.5 secs Computing kpt #: 108 total cpu time spent up to now is 55.0 secs Computing kpt #: 109 total cpu time spent up to now is 55.6 secs Computing kpt #: 110 total cpu time spent up to now is 56.2 secs Computing kpt #: 111 total cpu time spent up to now is 56.8 secs Computing kpt #: 112 total cpu time spent up to now is 57.3 secs Computing kpt #: 113 total cpu time spent up to now is 57.9 secs Computing kpt #: 114 total cpu time spent up to now is 58.4 secs Computing kpt #: 115 total cpu time spent up to now is 59.0 secs Computing kpt #: 116 total cpu time spent up to now is 59.6 secs Computing kpt #: 117 total cpu time spent up to now is 60.1 secs Computing kpt #: 118 total cpu time spent up to now is 60.7 secs Computing kpt #: 119 total cpu time spent up to now is 61.3 secs Computing kpt #: 120 total cpu time spent up to now is 61.8 secs Computing kpt #: 121 total cpu time spent up to now is 62.4 secs Computing kpt #: 122 total cpu time spent up to now is 63.0 secs Computing kpt #: 123 total cpu time spent up to now is 63.5 secs Computing kpt #: 124 total cpu time spent up to now is 64.1 secs Computing kpt #: 125 total cpu time spent up to now is 64.6 secs Computing kpt #: 126 total cpu time spent up to now is 65.1 secs Computing kpt #: 127 total cpu time spent up to now is 65.6 secs Computing kpt #: 128 total cpu time spent up to now is 66.1 secs Computing kpt #: 129 total cpu time spent up to now is 66.6 secs Computing kpt #: 130 total cpu time spent up to now is 67.1 secs Computing kpt #: 131 total cpu time spent up to now is 67.6 secs Computing kpt #: 132 total cpu time spent up to now is 68.1 secs Computing kpt #: 133 total cpu time spent up to now is 68.6 secs Computing kpt #: 134 total cpu time spent up to now is 69.1 secs Computing kpt #: 135 total cpu time spent up to now is 69.6 secs Computing kpt #: 136 total cpu time spent up to now is 70.1 secs Computing kpt #: 137 total cpu time spent up to now is 70.6 secs Computing kpt #: 138 total cpu time spent up to now is 71.1 secs Computing kpt #: 139 total cpu time spent up to now is 71.7 secs Computing kpt #: 140 total cpu time spent up to now is 72.4 secs Computing kpt #: 141 total cpu time spent up to now is 72.9 secs Computing kpt #: 142 total cpu time spent up to now is 73.4 secs Computing kpt #: 143 total cpu time spent up to now is 73.9 secs Computing kpt #: 144 total cpu time spent up to now is 74.4 secs Computing kpt #: 145 total cpu time spent up to now is 74.9 secs Computing kpt #: 146 total cpu time spent up to now is 75.4 secs Computing kpt #: 147 total cpu time spent up to now is 75.9 secs Computing kpt #: 148 total cpu time spent up to now is 76.4 secs Computing kpt #: 149 total cpu time spent up to now is 76.9 secs Computing kpt #: 150 total cpu time spent up to now is 77.4 secs Computing kpt #: 151 total cpu time spent up to now is 77.9 secs Computing kpt #: 152 total cpu time spent up to now is 78.4 secs Computing kpt #: 153 total cpu time spent up to now is 78.9 secs Computing kpt #: 154 total cpu time spent up to now is 79.4 secs Computing kpt #: 155 total cpu time spent up to now is 80.0 secs Computing kpt #: 156 total cpu time spent up to now is 80.4 secs Computing kpt #: 157 total cpu time spent up to now is 80.9 secs Computing kpt #: 158 total cpu time spent up to now is 81.4 secs Computing kpt #: 159 total cpu time spent up to now is 81.9 secs Computing kpt #: 160 total cpu time spent up to now is 82.4 secs Computing kpt #: 161 total cpu time spent up to now is 82.9 secs Computing kpt #: 162 total cpu time spent up to now is 83.3 secs Computing kpt #: 163 total cpu time spent up to now is 83.8 secs Computing kpt #: 164 total cpu time spent up to now is 84.2 secs Computing kpt #: 165 total cpu time spent up to now is 84.6 secs Computing kpt #: 166 total cpu time spent up to now is 85.1 secs Computing kpt #: 167 total cpu time spent up to now is 85.5 secs Computing kpt #: 168 total cpu time spent up to now is 85.9 secs Computing kpt #: 169 total cpu time spent up to now is 86.3 secs Computing kpt #: 170 total cpu time spent up to now is 86.8 secs Computing kpt #: 171 total cpu time spent up to now is 87.2 secs Computing kpt #: 172 total cpu time spent up to now is 87.6 secs Computing kpt #: 173 total cpu time spent up to now is 88.0 secs Computing kpt #: 174 total cpu time spent up to now is 88.5 secs Computing kpt #: 175 total cpu time spent up to now is 88.9 secs Computing kpt #: 176 total cpu time spent up to now is 89.3 secs Computing kpt #: 177 total cpu time spent up to now is 89.7 secs Computing kpt #: 178 total cpu time spent up to now is 90.1 secs Computing kpt #: 179 total cpu time spent up to now is 90.5 secs Computing kpt #: 180 total cpu time spent up to now is 90.9 secs Computing kpt #: 181 total cpu time spent up to now is 91.3 secs Computing kpt #: 182 total cpu time spent up to now is 91.7 secs Computing kpt #: 183 total cpu time spent up to now is 92.1 secs Computing kpt #: 184 total cpu time spent up to now is 92.5 secs Computing kpt #: 185 total cpu time spent up to now is 92.9 secs Computing kpt #: 186 total cpu time spent up to now is 93.3 secs Computing kpt #: 187 total cpu time spent up to now is 93.7 secs Computing kpt #: 188 total cpu time spent up to now is 94.1 secs Computing kpt #: 189 total cpu time spent up to now is 94.5 secs Computing kpt #: 190 total cpu time spent up to now is 94.9 secs Computing kpt #: 191 total cpu time spent up to now is 95.3 secs Computing kpt #: 192 total cpu time spent up to now is 95.7 secs Computing kpt #: 193 total cpu time spent up to now is 96.2 secs Computing kpt #: 194 total cpu time spent up to now is 96.6 secs Computing kpt #: 195 total cpu time spent up to now is 97.0 secs Computing kpt #: 196 total cpu time spent up to now is 97.4 secs Computing kpt #: 197 total cpu time spent up to now is 97.9 secs Computing kpt #: 198 total cpu time spent up to now is 98.3 secs Computing kpt #: 199 total cpu time spent up to now is 98.7 secs Computing kpt #: 200 total cpu time spent up to now is 99.2 secs Computing kpt #: 201 total cpu time spent up to now is 99.7 secs Computing kpt #: 202 total cpu time spent up to now is 100.1 secs Computing kpt #: 203 total cpu time spent up to now is 100.6 secs Computing kpt #: 204 total cpu time spent up to now is 101.1 secs Computing kpt #: 205 total cpu time spent up to now is 101.6 secs Computing kpt #: 206 total cpu time spent up to now is 102.1 secs Computing kpt #: 207 total cpu time spent up to now is 102.5 secs Computing kpt #: 208 total cpu time spent up to now is 103.0 secs Computing kpt #: 209 total cpu time spent up to now is 103.5 secs Computing kpt #: 210 total cpu time spent up to now is 104.0 secs Computing kpt #: 211 total cpu time spent up to now is 104.5 secs Computing kpt #: 212 total cpu time spent up to now is 104.9 secs Computing kpt #: 213 total cpu time spent up to now is 105.4 secs Computing kpt #: 214 total cpu time spent up to now is 105.8 secs Computing kpt #: 215 total cpu time spent up to now is 106.3 secs Computing kpt #: 216 total cpu time spent up to now is 106.7 secs Computing kpt #: 217 total cpu time spent up to now is 107.5 secs Computing kpt #: 218 total cpu time spent up to now is 107.9 secs Computing kpt #: 219 total cpu time spent up to now is 108.3 secs Computing kpt #: 220 total cpu time spent up to now is 108.7 secs Computing kpt #: 221 total cpu time spent up to now is 109.1 secs Computing kpt #: 222 total cpu time spent up to now is 109.6 secs Computing kpt #: 223 total cpu time spent up to now is 110.2 secs Computing kpt #: 224 total cpu time spent up to now is 110.7 secs Computing kpt #: 225 total cpu time spent up to now is 111.2 secs Computing kpt #: 226 total cpu time spent up to now is 111.7 secs Computing kpt #: 227 total cpu time spent up to now is 112.1 secs Computing kpt #: 228 total cpu time spent up to now is 112.6 secs Computing kpt #: 229 total cpu time spent up to now is 113.0 secs Computing kpt #: 230 total cpu time spent up to now is 113.5 secs Computing kpt #: 231 total cpu time spent up to now is 113.9 secs Computing kpt #: 232 total cpu time spent up to now is 114.4 secs Computing kpt #: 233 total cpu time spent up to now is 114.8 secs Computing kpt #: 234 total cpu time spent up to now is 115.2 secs Computing kpt #: 235 total cpu time spent up to now is 115.7 secs Computing kpt #: 236 total cpu time spent up to now is 116.1 secs Computing kpt #: 237 total cpu time spent up to now is 116.6 secs Computing kpt #: 238 total cpu time spent up to now is 117.0 secs Computing kpt #: 239 total cpu time spent up to now is 117.5 secs Computing kpt #: 240 total cpu time spent up to now is 117.9 secs Computing kpt #: 241 total cpu time spent up to now is 118.4 secs Computing kpt #: 242 total cpu time spent up to now is 118.8 secs Computing kpt #: 243 total cpu time spent up to now is 119.3 secs Computing kpt #: 244 total cpu time spent up to now is 119.8 secs Computing kpt #: 245 total cpu time spent up to now is 120.3 secs Computing kpt #: 246 total cpu time spent up to now is 120.8 secs Computing kpt #: 247 total cpu time spent up to now is 121.3 secs Computing kpt #: 248 total cpu time spent up to now is 121.8 secs Computing kpt #: 249 total cpu time spent up to now is 122.3 secs Computing kpt #: 250 total cpu time spent up to now is 122.8 secs Computing kpt #: 251 total cpu time spent up to now is 123.3 secs Computing kpt #: 252 total cpu time spent up to now is 123.8 secs Computing kpt #: 253 total cpu time spent up to now is 124.3 secs Computing kpt #: 254 total cpu time spent up to now is 124.7 secs Computing kpt #: 255 total cpu time spent up to now is 125.2 secs Computing kpt #: 256 total cpu time spent up to now is 125.6 secs Computing kpt #: 257 total cpu time spent up to now is 126.1 secs Computing kpt #: 258 total cpu time spent up to now is 126.5 secs Computing kpt #: 259 total cpu time spent up to now is 126.9 secs Computing kpt #: 260 total cpu time spent up to now is 127.4 secs Computing kpt #: 261 total cpu time spent up to now is 127.8 secs Computing kpt #: 262 total cpu time spent up to now is 128.2 secs Computing kpt #: 263 total cpu time spent up to now is 128.6 secs Computing kpt #: 264 total cpu time spent up to now is 129.0 secs Computing kpt #: 265 total cpu time spent up to now is 129.5 secs Computing kpt #: 266 total cpu time spent up to now is 129.9 secs Computing kpt #: 267 total cpu time spent up to now is 130.3 secs Computing kpt #: 268 total cpu time spent up to now is 130.7 secs Computing kpt #: 269 total cpu time spent up to now is 131.1 secs Computing kpt #: 270 total cpu time spent up to now is 131.5 secs Computing kpt #: 271 total cpu time spent up to now is 131.9 secs Computing kpt #: 272 total cpu time spent up to now is 132.3 secs Computing kpt #: 273 total cpu time spent up to now is 132.7 secs Computing kpt #: 274 total cpu time spent up to now is 133.1 secs Computing kpt #: 275 total cpu time spent up to now is 133.5 secs Computing kpt #: 276 total cpu time spent up to now is 133.9 secs Computing kpt #: 277 total cpu time spent up to now is 134.3 secs Computing kpt #: 278 total cpu time spent up to now is 134.8 secs Computing kpt #: 279 total cpu time spent up to now is 135.2 secs Computing kpt #: 280 total cpu time spent up to now is 135.6 secs Computing kpt #: 281 total cpu time spent up to now is 136.1 secs Computing kpt #: 282 total cpu time spent up to now is 136.5 secs Computing kpt #: 283 total cpu time spent up to now is 137.0 secs Computing kpt #: 284 total cpu time spent up to now is 137.4 secs Computing kpt #: 285 total cpu time spent up to now is 137.9 secs Computing kpt #: 286 total cpu time spent up to now is 138.4 secs Computing kpt #: 287 total cpu time spent up to now is 138.9 secs Computing kpt #: 288 total cpu time spent up to now is 139.4 secs Computing kpt #: 289 total cpu time spent up to now is 139.9 secs Computing kpt #: 290 total cpu time spent up to now is 140.4 secs Computing kpt #: 291 total cpu time spent up to now is 140.8 secs Computing kpt #: 292 total cpu time spent up to now is 141.3 secs Computing kpt #: 293 total cpu time spent up to now is 141.8 secs Computing kpt #: 294 total cpu time spent up to now is 142.4 secs Computing kpt #: 295 total cpu time spent up to now is 142.9 secs Computing kpt #: 296 total cpu time spent up to now is 143.3 secs Computing kpt #: 297 total cpu time spent up to now is 143.8 secs Computing kpt #: 298 total cpu time spent up to now is 144.2 secs Computing kpt #: 299 total cpu time spent up to now is 144.6 secs Computing kpt #: 300 total cpu time spent up to now is 145.0 secs Computing kpt #: 301 total cpu time spent up to now is 145.4 secs Computing kpt #: 302 total cpu time spent up to now is 145.8 secs Computing kpt #: 303 total cpu time spent up to now is 146.2 secs Computing kpt #: 304 total cpu time spent up to now is 146.6 secs Computing kpt #: 305 total cpu time spent up to now is 147.0 secs Computing kpt #: 306 total cpu time spent up to now is 147.5 secs Computing kpt #: 307 total cpu time spent up to now is 147.9 secs Computing kpt #: 308 total cpu time spent up to now is 148.3 secs Computing kpt #: 309 total cpu time spent up to now is 148.7 secs Computing kpt #: 310 total cpu time spent up to now is 149.1 secs Computing kpt #: 311 total cpu time spent up to now is 149.6 secs Computing kpt #: 312 total cpu time spent up to now is 150.0 secs Computing kpt #: 313 total cpu time spent up to now is 150.4 secs Computing kpt #: 314 total cpu time spent up to now is 150.8 secs Computing kpt #: 315 total cpu time spent up to now is 151.2 secs Computing kpt #: 316 total cpu time spent up to now is 151.6 secs Computing kpt #: 317 total cpu time spent up to now is 152.0 secs ethr = 3.13E-08, avg # of iterations = 16.2 total cpu time spent up to now is 152.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8801 PWs) bands (ev): -39.3117 -39.3117 -39.3041 -39.3041 -14.7787 -14.7787 -14.7787 -14.7787 -13.7525 -13.7525 -13.7375 -13.7375 -13.7375 -13.7375 -1.7918 -1.7918 -0.3232 -0.3232 -0.3232 -0.3232 0.0150 0.0150 0.0387 0.0387 0.0387 0.0387 6.4950 6.4950 7.0561 7.0561 7.5400 7.5400 7.5400 7.5400 9.9104 9.9104 9.9104 9.9104 9.9430 9.9430 k = 0.0104-0.0060 0.0085 ( 8801 PWs) bands (ev): -39.3117 -39.3117 -39.3041 -39.3041 -14.7787 -14.7787 -14.7787 -14.7787 -13.7525 -13.7525 -13.7375 -13.7375 -13.7375 -13.7375 -1.7906 -1.7906 -0.3232 -0.3232 -0.3232 -0.3232 0.0150 0.0150 0.0386 0.0386 0.0387 0.0387 6.4727 6.4727 7.0627 7.0627 7.5327 7.5327 7.5519 7.5519 9.9129 9.9129 9.9179 9.9179 9.9495 9.9495 k = 0.0208-0.0120 0.0170 ( 8777 PWs) bands (ev): -39.3117 -39.3117 -39.3041 -39.3041 -14.7787 -14.7787 -14.7787 -14.7787 -13.7525 -13.7525 -13.7375 -13.7375 -13.7375 -13.7375 -1.7871 -1.7871 -0.3233 -0.3233 -0.3232 -0.3232 0.0150 0.0150 0.0385 0.0385 0.0387 0.0387 6.4127 6.4127 7.0742 7.0742 7.5110 7.5110 7.5889 7.5889 9.9167 9.9167 9.9399 9.9399 9.9721 9.9721 k = 0.0312-0.0180 0.0255 ( 8761 PWs) bands (ev): -39.3117 -39.3117 -39.3041 -39.3041 -14.7787 -14.7787 -14.7787 -14.7787 -13.7524 -13.7524 -13.7375 -13.7375 -13.7375 -13.7375 -1.7813 -1.7813 -0.3233 -0.3233 -0.3231 -0.3231 0.0152 0.0152 0.0382 0.0382 0.0388 0.0388 6.3286 6.3286 7.0758 7.0758 7.4759 7.4759 7.6530 7.6530 9.9187 9.9187 9.9756 9.9756 10.0128 10.0128 k = 0.0417-0.0241 0.0340 ( 8753 PWs) bands (ev): -39.3117 -39.3117 -39.3041 -39.3041 -14.7786 -14.7786 -14.7786 -14.7786 -13.7524 -13.7524 -13.7375 -13.7375 -13.7374 -13.7374 -1.7732 -1.7732 -0.3234 -0.3234 -0.3230 -0.3230 0.0153 0.0153 0.0378 0.0378 0.0389 0.0389 6.2311 6.2311 7.0602 7.0602 7.4290 7.4290 7.7413 7.7413 9.9196 9.9196 10.0236 10.0236 10.0691 10.0691 k = 0.0521-0.0301 0.0425 ( 8745 PWs) bands (ev): -39.3117 -39.3117 -39.3042 -39.3042 -14.7786 -14.7786 -14.7786 -14.7786 -13.7524 -13.7524 -13.7374 -13.7374 -13.7374 -13.7374 -1.7628 -1.7628 -0.3234 -0.3234 -0.3229 -0.3229 0.0155 0.0155 0.0373 0.0373 0.0390 0.0390 6.1266 6.1266 7.0277 7.0277 7.3719 7.3719 7.8479 7.8479 9.9200 9.9200 10.0818 10.0818 10.1385 10.1385 k = 0.0625-0.0361 0.0510 ( 8753 PWs) bands (ev): -39.3116 -39.3116 -39.3042 -39.3042 -14.7786 -14.7786 -14.7786 -14.7786 -13.7523 -13.7523 -13.7374 -13.7374 -13.7374 -13.7374 -1.7501 -1.7501 -0.3235 -0.3235 -0.3228 -0.3228 0.0158 0.0158 0.0368 0.0368 0.0392 0.0392 6.0188 6.0188 6.9815 6.9815 7.3064 7.3064 7.9660 7.9660 9.9201 9.9201 10.1478 10.1478 10.2182 10.2182 k = 0.0729-0.0421 0.0595 ( 8745 PWs) bands (ev): -39.3116 -39.3116 -39.3042 -39.3042 -14.7786 -14.7786 -14.7785 -14.7785 -13.7522 -13.7522 -13.7374 -13.7374 -13.7373 -13.7373 -1.7352 -1.7352 -0.3236 -0.3236 -0.3227 -0.3227 0.0160 0.0160 0.0362 0.0362 0.0394 0.0394 5.9099 5.9099 6.9248 6.9248 7.2341 7.2341 8.0902 8.0902 9.9201 9.9201 10.2147 10.2147 10.3057 10.3057 k = 0.0833-0.0481 0.0680 ( 8745 PWs) bands (ev): -39.3116 -39.3116 -39.3043 -39.3043 -14.7785 -14.7785 -14.7785 -14.7785 -13.7521 -13.7521 -13.7374 -13.7374 -13.7373 -13.7373 -1.7181 -1.7181 -0.3237 -0.3237 -0.3225 -0.3225 0.0164 0.0164 0.0356 0.0356 0.0396 0.0396 5.8013 5.8013 6.8602 6.8602 7.1566 7.1566 8.2152 8.2152 9.9200 9.9200 10.1746 10.1746 10.3146 10.3146 k = 0.0938-0.0541 0.0765 ( 8761 PWs) bands (ev): -39.3115 -39.3115 -39.3043 -39.3043 -14.7785 -14.7785 -14.7784 -14.7784 -13.7520 -13.7520 -13.7374 -13.7374 -13.7372 -13.7372 -1.6987 -1.6987 -0.3237 -0.3237 -0.3223 -0.3223 0.0167 0.0167 0.0349 0.0349 0.0399 0.0399 5.6938 5.6938 6.7898 6.7898 7.0751 7.0751 8.3348 8.3348 9.9199 9.9199 10.0361 10.0361 10.3890 10.3890 k = 0.1042-0.0601 0.0851 ( 8781 PWs) bands (ev): -39.3115 -39.3115 -39.3044 -39.3044 -14.7784 -14.7784 -14.7784 -14.7784 -13.7519 -13.7519 -13.7374 -13.7374 -13.7372 -13.7372 -1.6773 -1.6773 -0.3237 -0.3237 -0.3221 -0.3221 0.0172 0.0172 0.0342 0.0342 0.0402 0.0402 5.5879 5.5879 6.7150 6.7150 6.9907 6.9907 8.4407 8.4407 9.9064 9.9064 9.9197 9.9197 10.4692 10.4692 k = 0.1146-0.0662 0.0936 ( 8773 PWs) bands (ev): -39.3114 -39.3114 -39.3044 -39.3044 -14.7784 -14.7784 -14.7783 -14.7783 -13.7518 -13.7518 -13.7373 -13.7373 -13.7371 -13.7371 -1.6537 -1.6537 -0.3236 -0.3236 -0.3219 -0.3219 0.0176 0.0176 0.0336 0.0336 0.0405 0.0405 5.4841 5.4841 6.6371 6.6371 6.9045 6.9045 8.5202 8.5202 9.8032 9.8032 9.9195 9.9195 10.5494 10.5494 k = 0.1250-0.0722 0.1021 ( 8773 PWs) bands (ev): -39.3113 -39.3113 -39.3045 -39.3045 -14.7783 -14.7783 -14.7782 -14.7782 -13.7517 -13.7517 -13.7373 -13.7373 -13.7370 -13.7370 -1.6281 -1.6281 -0.3235 -0.3235 -0.3216 -0.3216 0.0181 0.0181 0.0330 0.0330 0.0408 0.0408 5.3826 5.3826 6.5571 6.5571 6.8170 6.8170 8.5565 8.5565 9.7445 9.7445 9.9193 9.9193 10.6284 10.6284 k = 0.1354-0.0782 0.1106 ( 8781 PWs) bands (ev): -39.3113 -39.3113 -39.3045 -39.3045 -14.7783 -14.7783 -14.7782 -14.7782 -13.7516 -13.7516 -13.7373 -13.7373 -13.7370 -13.7370 -1.6005 -1.6005 -0.3233 -0.3233 -0.3214 -0.3214 0.0186 0.0186 0.0325 0.0325 0.0412 0.0412 5.2836 5.2836 6.4757 6.4757 6.7290 6.7290 8.5363 8.5363 9.7447 9.7447 9.9190 9.9190 10.7057 10.7057 k = 0.1458-0.0842 0.1191 ( 8789 PWs) bands (ev): -39.3112 -39.3112 -39.3046 -39.3046 -14.7782 -14.7782 -14.7781 -14.7781 -13.7515 -13.7515 -13.7372 -13.7372 -13.7369 -13.7369 -1.5711 -1.5711 -0.3229 -0.3229 -0.3211 -0.3211 0.0192 0.0192 0.0321 0.0321 0.0416 0.0416 5.1874 5.1874 6.3935 6.3935 6.6409 6.6409 8.4602 8.4602 9.8035 9.8035 9.9187 9.9187 10.7812 10.7812 k = 0.1562-0.0902 0.1276 ( 8780 PWs) bands (ev): -39.3111 -39.3111 -39.3047 -39.3047 -14.7781 -14.7781 -14.7780 -14.7780 -13.7513 -13.7513 -13.7372 -13.7372 -13.7368 -13.7368 -1.5398 -1.5398 -0.3224 -0.3224 -0.3208 -0.3208 0.0198 0.0198 0.0320 0.0320 0.0421 0.0421 5.0939 5.0939 6.3112 6.3112 6.5533 6.5533 8.3417 8.3417 9.9080 9.9080 9.9184 9.9184 10.8554 10.8554 k = 0.1667-0.0962 0.1361 ( 8772 PWs) bands (ev): -39.3111 -39.3111 -39.3048 -39.3048 -14.7781 -14.7781 -14.7779 -14.7779 -13.7512 -13.7512 -13.7372 -13.7372 -13.7367 -13.7367 -1.5069 -1.5069 -0.3217 -0.3217 -0.3205 -0.3205 0.0204 0.0204 0.0320 0.0320 0.0426 0.0426 5.0032 5.0032 6.2291 6.2291 6.4664 6.4664 8.1960 8.1960 9.9181 9.9181 10.0431 10.0431 10.9289 10.9289 k = 0.1771-0.1022 0.1446 ( 8776 PWs) bands (ev): -39.3110 -39.3110 -39.3048 -39.3048 -14.7780 -14.7780 -14.7778 -14.7778 -13.7510 -13.7510 -13.7371 -13.7371 -13.7366 -13.7366 -1.4723 -1.4723 -0.3207 -0.3207 -0.3201 -0.3201 0.0211 0.0211 0.0323 0.0323 0.0431 0.0431 4.9155 4.9155 6.1476 6.1476 6.3806 6.3806 8.0340 8.0340 9.9178 9.9178 10.1983 10.1983 11.0023 11.0023 k = 0.1875-0.1083 0.1531 ( 8772 PWs) bands (ev): -39.3109 -39.3109 -39.3049 -39.3049 -14.7779 -14.7779 -14.7777 -14.7777 -13.7509 -13.7509 -13.7371 -13.7371 -13.7365 -13.7365 -1.4363 -1.4363 -0.3198 -0.3198 -0.3194 -0.3194 0.0218 0.0218 0.0330 0.0330 0.0436 0.0436 4.8306 4.8306 6.0670 6.0670 6.2962 6.2962 7.8624 7.8624 9.9174 9.9174 10.3668 10.3668 11.0764 11.0764 k = 0.1979-0.1143 0.1616 ( 8772 PWs) bands (ev): -39.3108 -39.3108 -39.3050 -39.3050 -14.7779 -14.7779 -14.7776 -14.7776 -13.7507 -13.7507 -13.7371 -13.7371 -13.7364 -13.7364 -1.3990 -1.3990 -0.3194 -0.3194 -0.3178 -0.3178 0.0225 0.0225 0.0340 0.0340 0.0442 0.0442 4.7488 4.7488 5.9876 5.9876 6.2133 6.2133 7.6854 7.6854 9.9171 9.9171 10.5444 10.5444 11.1518 11.1518 k = 0.2083-0.1203 0.1701 ( 8792 PWs) bands (ev): -39.3107 -39.3107 -39.3051 -39.3051 -14.7778 -14.7778 -14.7776 -14.7776 -13.7505 -13.7505 -13.7370 -13.7370 -13.7363 -13.7363 -1.3606 -1.3606 -0.3190 -0.3190 -0.3158 -0.3158 0.0232 0.0232 0.0356 0.0356 0.0449 0.0449 4.6699 4.6699 5.9096 5.9096 6.1321 6.1321 7.5056 7.5056 9.9167 9.9167 10.7279 10.7279 11.2298 11.2298 k = 0.2188-0.1263 0.1786 ( 8776 PWs) bands (ev): -39.3107 -39.3107 -39.3051 -39.3051 -14.7777 -14.7777 -14.7775 -14.7775 -13.7504 -13.7504 -13.7370 -13.7370 -13.7362 -13.7362 -1.3213 -1.3213 -0.3186 -0.3186 -0.3133 -0.3133 0.0239 0.0239 0.0377 0.0377 0.0455 0.0455 4.5940 4.5940 5.8332 5.8332 6.0529 6.0529 7.3247 7.3247 9.9163 9.9163 10.9145 10.9145 11.3118 11.3118 k = 0.2292-0.1323 0.1871 ( 8772 PWs) bands (ev): -39.3106 -39.3106 -39.3052 -39.3052 -14.7776 -14.7776 -14.7774 -14.7774 -13.7502 -13.7502 -13.7370 -13.7370 -13.7361 -13.7361 -1.2814 -1.2814 -0.3183 -0.3183 -0.3102 -0.3102 0.0247 0.0247 0.0406 0.0406 0.0462 0.0462 4.5210 4.5210 5.7586 5.7586 5.9757 5.9757 7.1439 7.1439 9.9160 9.9160 11.0999 11.0999 11.4015 11.4015 k = 0.2396-0.1383 0.1956 ( 8768 PWs) bands (ev): -39.3105 -39.3105 -39.3053 -39.3053 -14.7775 -14.7775 -14.7773 -14.7773 -13.7500 -13.7500 -13.7370 -13.7370 -13.7360 -13.7360 -1.2410 -1.2410 -0.3179 -0.3179 -0.3065 -0.3065 0.0254 0.0254 0.0442 0.0442 0.0470 0.0470 4.4509 4.4509 5.6859 5.6859 5.9006 5.9006 6.9639 6.9639 9.9156 9.9156 11.2752 11.2752 11.5070 11.5070 k = 0.2500-0.1443 0.2041 ( 8740 PWs) bands (ev): -39.3104 -39.3104 -39.3054 -39.3054 -14.7775 -14.7775 -14.7772 -14.7772 -13.7499 -13.7499 -13.7369 -13.7369 -13.7358 -13.7358 -1.2004 -1.2004 -0.3174 -0.3174 -0.3020 -0.3020 0.0261 0.0261 0.0478 0.0478 0.0488 0.0488 4.3838 4.3838 5.6152 5.6152 5.8279 5.8279 6.7856 6.7856 9.9153 9.9153 11.4245 11.4245 11.6439 11.6439 k = 0.2604-0.1504 0.2126 ( 8776 PWs) bands (ev): -39.3103 -39.3103 -39.3055 -39.3055 -14.7774 -14.7774 -14.7771 -14.7771 -13.7497 -13.7497 -13.7369 -13.7369 -13.7357 -13.7357 -1.1601 -1.1601 -0.3170 -0.3170 -0.2968 -0.2968 0.0269 0.0269 0.0486 0.0486 0.0545 0.0545 4.3196 4.3196 5.5466 5.5466 5.7575 5.7575 6.6094 6.6094 9.9149 9.9149 11.5427 11.5427 11.8168 11.8168 k = 0.2708-0.1564 0.2211 ( 8788 PWs) bands (ev): -39.3102 -39.3102 -39.3055 -39.3055 -14.7773 -14.7773 -14.7770 -14.7770 -13.7496 -13.7496 -13.7369 -13.7369 -13.7356 -13.7356 -1.1203 -1.1203 -0.3166 -0.3166 -0.2907 -0.2907 0.0276 0.0276 0.0495 0.0495 0.0616 0.0616 4.2582 4.2582 5.4803 5.4803 5.6896 5.6896 6.4358 6.4358 9.9146 9.9146 11.6436 11.6436 11.9054 11.9054 k = 0.2812-0.1624 0.2296 ( 8752 PWs) bands (ev): -39.3101 -39.3101 -39.3056 -39.3056 -14.7772 -14.7772 -14.7769 -14.7769 -13.7494 -13.7494 -13.7368 -13.7368 -13.7355 -13.7355 -1.0814 -1.0814 -0.3162 -0.3162 -0.2837 -0.2837 0.0283 0.0283 0.0504 0.0504 0.0702 0.0702 4.1997 4.1997 5.4162 5.4162 5.6242 5.6242 6.2652 6.2652 9.9142 9.9142 11.7383 11.7383 11.9929 11.9929 k = 0.2917-0.1684 0.2381 ( 8760 PWs) bands (ev): -39.3100 -39.3100 -39.3057 -39.3057 -14.7772 -14.7772 -14.7768 -14.7768 -13.7492 -13.7492 -13.7368 -13.7368 -13.7354 -13.7354 -1.0438 -1.0438 -0.3158 -0.3158 -0.2759 -0.2759 0.0289 0.0289 0.0513 0.0513 0.0806 0.0806 4.1439 4.1439 5.3545 5.3545 5.5615 5.5615 6.0981 6.0981 9.9139 9.9139 11.8312 11.8312 12.0825 12.0825 k = 0.3021-0.1744 0.2467 ( 8760 PWs) bands (ev): -39.3100 -39.3100 -39.3058 -39.3058 -14.7771 -14.7771 -14.7767 -14.7767 -13.7491 -13.7491 -13.7368 -13.7368 -13.7353 -13.7353 -1.0079 -1.0079 -0.3154 -0.3154 -0.2672 -0.2672 0.0296 0.0296 0.0522 0.0522 0.0931 0.0931 4.0908 4.0908 5.2951 5.2951 5.5014 5.5014 5.9349 5.9349 9.9135 9.9135 11.9242 11.9242 12.1742 12.1742 k = 0.3125-0.1804 0.2552 ( 8768 PWs) bands (ev): -39.3099 -39.3099 -39.3058 -39.3058 -14.7770 -14.7770 -14.7766 -14.7766 -13.7489 -13.7489 -13.7368 -13.7368 -13.7352 -13.7352 -0.9740 -0.9740 -0.3150 -0.3150 -0.2578 -0.2578 0.0302 0.0302 0.0532 0.0532 0.1080 0.1080 4.0404 4.0404 5.2379 5.2379 5.4441 5.4441 5.7760 5.7760 9.9132 9.9132 12.0181 12.0181 12.2681 12.2681 k = 0.3229-0.1864 0.2637 ( 8760 PWs) bands (ev): -39.3098 -39.3098 -39.3059 -39.3059 -14.7769 -14.7769 -14.7766 -14.7766 -13.7488 -13.7488 -13.7368 -13.7368 -13.7351 -13.7351 -0.9424 -0.9424 -0.3146 -0.3146 -0.2478 -0.2478 0.0308 0.0308 0.0542 0.0542 0.1256 0.1256 3.9926 3.9926 5.1829 5.1829 5.3896 5.3896 5.6221 5.6221 9.9129 9.9129 12.1131 12.1131 12.3640 12.3640 k = 0.3333-0.1925 0.2722 ( 8748 PWs) bands (ev): -39.3097 -39.3097 -39.3060 -39.3060 -14.7769 -14.7769 -14.7765 -14.7765 -13.7486 -13.7486 -13.7368 -13.7368 -13.7350 -13.7350 -0.9133 -0.9133 -0.3142 -0.3142 -0.2376 -0.2376 0.0314 0.0314 0.0552 0.0552 0.1461 0.1461 3.9473 3.9473 5.1296 5.1296 5.3380 5.3380 5.4740 5.4740 9.9126 9.9126 12.2094 12.2094 12.4619 12.4619 k = 0.3438-0.1985 0.2807 ( 8748 PWs) bands (ev): -39.3096 -39.3096 -39.3060 -39.3060 -14.7768 -14.7768 -14.7764 -14.7764 -13.7485 -13.7485 -13.7368 -13.7368 -13.7349 -13.7349 -0.8870 -0.8870 -0.3138 -0.3138 -0.2274 -0.2274 0.0319 0.0319 0.0562 0.0562 0.1696 0.1696 3.9045 3.9045 5.0770 5.0770 5.2892 5.2892 5.3332 5.3332 9.9123 9.9123 12.3069 12.3069 12.5617 12.5617 k = 0.3542-0.2045 0.2892 ( 8760 PWs) bands (ev): -39.3096 -39.3096 -39.3061 -39.3061 -14.7767 -14.7767 -14.7763 -14.7763 -13.7484 -13.7484 -13.7368 -13.7368 -13.7348 -13.7348 -0.8634 -0.8634 -0.3135 -0.3135 -0.2173 -0.2173 0.0324 0.0324 0.0572 0.0572 0.1963 0.1963 3.8641 3.8641 5.0224 5.0224 5.2029 5.2029 5.2434 5.2434 9.9121 9.9121 12.4056 12.4056 12.6633 12.6633 k = 0.3646-0.2105 0.2977 ( 8764 PWs) bands (ev): -39.3095 -39.3095 -39.3062 -39.3062 -14.7767 -14.7767 -14.7763 -14.7763 -13.7483 -13.7483 -13.7368 -13.7368 -13.7347 -13.7347 -0.8426 -0.8426 -0.3131 -0.3131 -0.2078 -0.2078 0.0329 0.0329 0.0581 0.0581 0.2258 0.2258 3.8259 3.8259 4.9578 4.9578 5.0916 5.0916 5.2006 5.2006 9.9118 9.9118 12.5053 12.5053 12.7664 12.7664 k = 0.3750-0.2165 0.3062 ( 8756 PWs) bands (ev): -39.3095 -39.3095 -39.3062 -39.3062 -14.7766 -14.7766 -14.7762 -14.7762 -13.7481 -13.7481 -13.7368 -13.7368 -13.7346 -13.7346 -0.8244 -0.8244 -0.3128 -0.3128 -0.1989 -0.1989 0.0333 0.0333 0.0591 0.0591 0.2580 0.2580 3.7899 3.7899 4.8712 4.8712 5.0120 5.0120 5.1608 5.1608 9.9116 9.9116 12.6056 12.6056 12.8708 12.8708 k = 0.3854-0.2225 0.3147 ( 8776 PWs) bands (ev): -39.3094 -39.3094 -39.3063 -39.3063 -14.7766 -14.7766 -14.7762 -14.7762 -13.7480 -13.7480 -13.7368 -13.7368 -13.7345 -13.7345 -0.8087 -0.8087 -0.3125 -0.3125 -0.1908 -0.1908 0.0337 0.0337 0.0600 0.0600 0.2923 0.2923 3.7560 3.7560 4.7686 4.7686 4.9586 4.9586 5.1240 5.1240 9.9114 9.9114 12.7062 12.7062 12.9763 12.9763 k = 0.3958-0.2285 0.3232 ( 8776 PWs) bands (ev): -39.3093 -39.3093 -39.3064 -39.3064 -14.7765 -14.7765 -14.7761 -14.7761 -13.7479 -13.7479 -13.7368 -13.7368 -13.7344 -13.7344 -0.7953 -0.7953 -0.3122 -0.3122 -0.1835 -0.1835 0.0341 0.0341 0.0608 0.0608 0.3280 0.3280 3.7241 3.7241 4.6642 4.6642 4.9179 4.9179 5.0904 5.0904 9.9111 9.9111 12.8066 12.8066 13.0824 13.0824 k = 0.4062-0.2345 0.3317 ( 8780 PWs) bands (ev): -39.3093 -39.3093 -39.3064 -39.3064 -14.7765 -14.7765 -14.7761 -14.7761 -13.7479 -13.7479 -13.7368 -13.7368 -13.7343 -13.7343 -0.7839 -0.7839 -0.3119 -0.3119 -0.1771 -0.1771 0.0344 0.0344 0.0616 0.0616 0.3644 0.3644 3.6941 3.6941 4.5647 4.5647 4.8839 4.8839 5.0598 5.0598 9.9110 9.9110 12.9061 12.9061 13.1884 13.1884 k = 0.4167-0.2406 0.3402 ( 8772 PWs) bands (ev): -39.3092 -39.3092 -39.3064 -39.3064 -14.7764 -14.7764 -14.7760 -14.7760 -13.7478 -13.7478 -13.7368 -13.7368 -13.7343 -13.7343 -0.7744 -0.7744 -0.3117 -0.3117 -0.1715 -0.1715 0.0347 0.0347 0.0624 0.0624 0.4007 0.4007 3.6661 3.6661 4.4728 4.4728 4.8546 4.8546 5.0324 5.0324 9.9108 9.9108 13.0038 13.0038 13.2937 13.2937 k = 0.4271-0.2466 0.3487 ( 8780 PWs) bands (ev): -39.3092 -39.3092 -39.3065 -39.3065 -14.7764 -14.7764 -14.7760 -14.7760 -13.7477 -13.7477 -13.7368 -13.7368 -13.7342 -13.7342 -0.7665 -0.7665 -0.3115 -0.3115 -0.1668 -0.1668 0.0350 0.0350 0.0630 0.0630 0.4359 0.4359 3.6400 3.6400 4.3900 4.3900 4.8293 4.8293 5.0082 5.0082 9.9106 9.9106 13.0986 13.0986 13.3973 13.3973 k = 0.4375-0.2526 0.3572 ( 8792 PWs) bands (ev): -39.3092 -39.3092 -39.3065 -39.3065 -14.7764 -14.7764 -14.7760 -14.7760 -13.7477 -13.7477 -13.7368 -13.7368 -13.7341 -13.7341 -0.7601 -0.7601 -0.3113 -0.3113 -0.1628 -0.1628 0.0352 0.0352 0.0636 0.0636 0.4689 0.4689 3.6161 3.6161 4.3172 4.3172 4.8076 4.8076 4.9871 4.9871 9.9105 9.9105 13.1891 13.1891 13.4976 13.4976 k = 0.4479-0.2586 0.3657 ( 8792 PWs) bands (ev): -39.3091 -39.3091 -39.3065 -39.3065 -14.7763 -14.7763 -14.7759 -14.7759 -13.7476 -13.7476 -13.7368 -13.7368 -13.7341 -13.7341 -0.7549 -0.7549 -0.3111 -0.3111 -0.1595 -0.1595 0.0354 0.0354 0.0642 0.0642 0.4990 0.4990 3.5945 3.5945 4.2550 4.2550 4.7894 4.7894 4.9693 4.9693 9.9104 9.9104 13.2733 13.2733 13.5927 13.5927 k = 0.4583-0.2646 0.3742 ( 8776 PWs) bands (ev): -39.3091 -39.3091 -39.3066 -39.3066 -14.7763 -14.7763 -14.7759 -14.7759 -13.7476 -13.7476 -13.7368 -13.7368 -13.7341 -13.7341 -0.7509 -0.7509 -0.3110 -0.3110 -0.1569 -0.1569 0.0355 0.0355 0.0646 0.0646 0.5250 0.5250 3.5757 3.5757 4.2040 4.2040 4.7745 4.7745 4.9547 4.9547 9.9103 9.9103 13.3487 13.3487 13.6799 13.6799 k = 0.4688-0.2706 0.3827 ( 8768 PWs) bands (ev): -39.3091 -39.3091 -39.3066 -39.3066 -14.7763 -14.7763 -14.7759 -14.7759 -13.7475 -13.7475 -13.7368 -13.7368 -13.7340 -13.7340 -0.7478 -0.7478 -0.3109 -0.3109 -0.1549 -0.1549 0.0356 0.0356 0.0649 0.0649 0.5463 0.5463 3.5603 3.5603 4.1642 4.1642 4.7630 4.7630 4.9433 4.9433 9.9102 9.9102 13.4125 13.4125 13.7555 13.7555 k = 0.4792-0.2766 0.3912 ( 8760 PWs) bands (ev): -39.3091 -39.3091 -39.3066 -39.3066 -14.7763 -14.7763 -14.7759 -14.7759 -13.7475 -13.7475 -13.7368 -13.7368 -13.7340 -13.7340 -0.7457 -0.7457 -0.3108 -0.3108 -0.1535 -0.1535 0.0357 0.0357 0.0652 0.0652 0.5621 0.5621 3.5487 3.5487 4.1359 4.1359 4.7548 4.7548 4.9352 4.9352 9.9102 9.9102 13.4614 13.4614 13.8149 13.8149 k = 0.4896-0.2827 0.3997 ( 8744 PWs) bands (ev): -39.3090 -39.3090 -39.3066 -39.3066 -14.7762 -14.7762 -14.7758 -14.7758 -13.7475 -13.7475 -13.7367 -13.7367 -13.7340 -13.7340 -0.7445 -0.7445 -0.3108 -0.3108 -0.1526 -0.1526 0.0358 0.0358 0.0653 0.0653 0.5718 0.5718 3.5415 3.5415 4.1189 4.1189 4.7498 4.7498 4.9303 4.9303 9.9102 9.9102 13.4923 13.4923 13.8534 13.8534 k = 0.5000-0.2887 0.4082 ( 8744 PWs) bands (ev): -39.3090 -39.3090 -39.3066 -39.3066 -14.7762 -14.7762 -14.7758 -14.7758 -13.7475 -13.7475 -13.7367 -13.7367 -13.7340 -13.7340 -0.7441 -0.7441 -0.3108 -0.3108 -0.1524 -0.1524 0.0358 0.0358 0.0654 0.0654 0.5750 0.5750 3.5390 3.5390 4.1133 4.1133 4.7482 4.7482 4.9286 4.9286 9.9102 9.9102 13.5030 13.5030 13.8667 13.8667 k = 0.5000-0.2887 0.4082 ( 8744 PWs) bands (ev): -39.3090 -39.3090 -39.3066 -39.3066 -14.7762 -14.7762 -14.7758 -14.7758 -13.7475 -13.7475 -13.7367 -13.7367 -13.7340 -13.7340 -0.7441 -0.7441 -0.3108 -0.3108 -0.1524 -0.1524 0.0358 0.0358 0.0654 0.0654 0.5750 0.5750 3.5390 3.5390 4.1133 4.1133 4.7482 4.7482 4.9286 4.9286 9.9102 9.9102 13.5030 13.5030 13.8667 13.8667 k = 0.5000-0.2766 0.4168 ( 8744 PWs) bands (ev): -39.3090 -39.3090 -39.3066 -39.3066 -14.7762 -14.7762 -14.7758 -14.7758 -13.7475 -13.7475 -13.7367 -13.7367 -13.7340 -13.7340 -0.7436 -0.7436 -0.3108 -0.3108 -0.1523 -0.1523 0.0358 0.0358 0.0653 0.0653 0.5751 0.5751 3.5400 3.5400 4.0902 4.0902 4.7609 4.7609 4.9412 4.9412 9.9142 9.9142 13.4904 13.4904 13.8529 13.8529 k = 0.5000-0.2646 0.4253 ( 8760 PWs) bands (ev): -39.3090 -39.3090 -39.3066 -39.3066 -14.7762 -14.7762 -14.7759 -14.7759 -13.7475 -13.7475 -13.7367 -13.7367 -13.7340 -13.7340 -0.7421 -0.7421 -0.3108 -0.3108 -0.1523 -0.1523 0.0357 0.0357 0.0651 0.0651 0.5753 0.5753 3.5429 3.5429 4.0294 4.0294 4.7834 4.7834 4.9861 4.9861 9.9262 9.9262 13.4477 13.4477 13.8200 13.8200 k = 0.5000-0.2526 0.4338 ( 8776 PWs) bands (ev): -39.3090 -39.3090 -39.3066 -39.3066 -14.7762 -14.7762 -14.7759 -14.7759 -13.7475 -13.7475 -13.7367 -13.7367 -13.7340 -13.7340 -0.7396 -0.7396 -0.3109 -0.3109 -0.1522 -0.1522 0.0357 0.0357 0.0648 0.0648 0.5757 0.5757 3.5477 3.5477 3.9465 3.9465 4.7941 4.7941 5.0694 5.0694 9.9461 9.9461 13.3645 13.3645 13.7871 13.7871 k = 0.5000-0.2406 0.4423 ( 8774 PWs) bands (ev): -39.3090 -39.3090 -39.3066 -39.3066 -14.7762 -14.7762 -14.7759 -14.7759 -13.7474 -13.7474 -13.7367 -13.7367 -13.7340 -13.7340 -0.7361 -0.7361 -0.3111 -0.3111 -0.1521 -0.1521 0.0356 0.0356 0.0644 0.0644 0.5763 0.5763 3.5539 3.5539 3.8533 3.8533 4.7916 4.7916 5.1813 5.1813 9.9738 9.9738 13.2377 13.2377 13.7675 13.7675 k = 0.5000-0.2285 0.4508 ( 8760 PWs) bands (ev): -39.3090 -39.3090 -39.3067 -39.3067 -14.7762 -14.7762 -14.7759 -14.7759 -13.7474 -13.7474 -13.7367 -13.7367 -13.7341 -13.7341 -0.7317 -0.7317 -0.3112 -0.3112 -0.1520 -0.1520 0.0354 0.0354 0.0638 0.0638 0.5770 0.5770 3.5608 3.5608 3.7571 3.7571 4.7806 4.7806 5.3107 5.3107 10.0092 10.0093 13.0755 13.0755 13.7619 13.7619 k = 0.5000-0.2165 0.4593 ( 8772 PWs) bands (ev): -39.3090 -39.3090 -39.3067 -39.3067 -14.7762 -14.7762 -14.7759 -14.7759 -13.7474 -13.7474 -13.7367 -13.7367 -13.7341 -13.7341 -0.7264 -0.7264 -0.3115 -0.3115 -0.1518 -0.1518 0.0353 0.0353 0.0631 0.0631 0.5779 0.5779 3.5636 3.5636 3.6663 3.6663 4.7638 4.7638 5.4514 5.4514 10.0522 10.0522 12.8887 12.8887 13.7666 13.7666 k = 0.5000-0.2045 0.4678 ( 8770 PWs) bands (ev): -39.3089 -39.3089 -39.3067 -39.3067 -14.7762 -14.7762 -14.7759 -14.7759 -13.7474 -13.7474 -13.7367 -13.7367 -13.7341 -13.7341 -0.7204 -0.7204 -0.3117 -0.3117 -0.1516 -0.1516 0.0351 0.0351 0.0623 0.0623 0.5789 0.5789 3.5296 3.5296 3.6156 3.6156 4.7426 4.7426 5.6003 5.6003 10.1025 10.1025 12.6855 12.6855 13.7786 13.7786 k = 0.5000-0.1925 0.4763 ( 8766 PWs) bands (ev): -39.3089 -39.3089 -39.3068 -39.3068 -14.7762 -14.7762 -14.7759 -14.7759 -13.7474 -13.7474 -13.7366 -13.7366 -13.7341 -13.7341 -0.7137 -0.7137 -0.3120 -0.3120 -0.1514 -0.1514 0.0349 0.0349 0.0614 0.0614 0.5800 0.5800 3.4470 3.4470 3.6180 3.6180 4.7179 4.7179 5.7557 5.7557 10.1598 10.1598 12.4715 12.4715 13.7959 13.7959 k = 0.5000-0.1804 0.4848 ( 8766 PWs) bands (ev): -39.3089 -39.3089 -39.3068 -39.3068 -14.7762 -14.7762 -14.7759 -14.7759 -13.7474 -13.7474 -13.7366 -13.7366 -13.7342 -13.7342 -0.7063 -0.7063 -0.3123 -0.3123 -0.1512 -0.1512 0.0347 0.0347 0.0604 0.0604 0.5813 0.5813 3.3578 3.3578 3.6322 3.6322 4.6901 4.6901 5.9164 5.9164 10.2240 10.2240 12.2503 12.2503 13.8173 13.8173 k = 0.5000-0.1684 0.4933 ( 8768 PWs) bands (ev): -39.3088 -39.3088 -39.3069 -39.3069 -14.7762 -14.7762 -14.7759 -14.7759 -13.7474 -13.7474 -13.7366 -13.7366 -13.7342 -13.7342 -0.6984 -0.6984 -0.3127 -0.3127 -0.1509 -0.1509 0.0345 0.0345 0.0593 0.0593 0.5827 0.5827 3.2707 3.2707 3.6503 3.6503 4.6597 4.6597 6.0818 6.0818 10.2949 10.2949 12.0244 12.0244 13.8413 13.8413 k = 0.5000-0.1564 0.5018 ( 8764 PWs) bands (ev): -39.3088 -39.3088 -39.3069 -39.3069 -14.7762 -14.7762 -14.7759 -14.7759 -13.7473 -13.7473 -13.7365 -13.7365 -13.7343 -13.7343 -0.6902 -0.6902 -0.3131 -0.3131 -0.1505 -0.1505 0.0344 0.0344 0.0581 0.0581 0.5841 0.5841 3.1872 3.1872 3.6709 3.6709 4.6270 4.6270 6.2515 6.2515 10.3721 10.3721 11.7957 11.7957 13.8543 13.8543 k = 0.5000-0.1443 0.5103 ( 8760 PWs) bands (ev): -39.3087 -39.3087 -39.3070 -39.3070 -14.7762 -14.7762 -14.7759 -14.7759 -13.7473 -13.7473 -13.7365 -13.7365 -13.7343 -13.7343 -0.6816 -0.6816 -0.3135 -0.3135 -0.1502 -0.1502 0.0342 0.0342 0.0568 0.0568 0.5857 0.5857 3.1082 3.1082 3.6936 3.6936 4.5923 4.5923 6.4250 6.4250 10.4553 10.4553 11.5655 11.5655 13.7308 13.7308 k = 0.5000-0.1323 0.5188 ( 8772 PWs) bands (ev): -39.3086 -39.3086 -39.3070 -39.3070 -14.7761 -14.7761 -14.7759 -14.7759 -13.7473 -13.7473 -13.7364 -13.7364 -13.7344 -13.7344 -0.6730 -0.6730 -0.3140 -0.3140 -0.1498 -0.1498 0.0340 0.0340 0.0555 0.0555 0.5873 0.5873 3.0341 3.0341 3.7183 3.7183 4.5559 4.5559 6.6020 6.6020 10.5445 10.5445 11.3347 11.3347 13.5656 13.5656 k = 0.5000-0.1203 0.5273 ( 8766 PWs) bands (ev): -39.3086 -39.3086 -39.3071 -39.3071 -14.7761 -14.7761 -14.7759 -14.7759 -13.7473 -13.7473 -13.7364 -13.7364 -13.7344 -13.7344 -0.6644 -0.6644 -0.3144 -0.3144 -0.1493 -0.1493 0.0339 0.0339 0.0541 0.0541 0.5890 0.5890 2.9654 2.9654 3.7447 3.7447 4.5181 4.5181 6.7823 6.7823 10.6391 10.6391 11.1043 11.1043 13.3992 13.3992 k = 0.5000-0.1083 0.5358 ( 8762 PWs) bands (ev): -39.3085 -39.3085 -39.3072 -39.3072 -14.7761 -14.7761 -14.7759 -14.7759 -13.7473 -13.7473 -13.7363 -13.7363 -13.7345 -13.7345 -0.6559 -0.6559 -0.3149 -0.3149 -0.1489 -0.1489 0.0338 0.0338 0.0527 0.0527 0.5906 0.5906 2.9022 2.9022 3.7727 3.7727 4.4791 4.4791 6.9656 6.9656 10.7384 10.7384 10.8756 10.8756 13.2338 13.2338 k = 0.5000-0.0962 0.5443 ( 8762 PWs) bands (ev): -39.3085 -39.3085 -39.3072 -39.3072 -14.7761 -14.7761 -14.7759 -14.7759 -13.7472 -13.7472 -13.7363 -13.7363 -13.7345 -13.7345 -0.6478 -0.6478 -0.3154 -0.3154 -0.1484 -0.1484 0.0337 0.0337 0.0513 0.0513 0.5923 0.5923 2.8448 2.8448 3.8023 3.8023 4.4394 4.4394 7.1515 7.1515 10.6456 10.6456 10.8458 10.8458 13.0699 13.0699 k = 0.5000-0.0842 0.5528 ( 8758 PWs) bands (ev): -39.3084 -39.3084 -39.3073 -39.3073 -14.7761 -14.7761 -14.7759 -14.7759 -13.7472 -13.7472 -13.7362 -13.7362 -13.7346 -13.7346 -0.6402 -0.6402 -0.3159 -0.3159 -0.1480 -0.1480 0.0336 0.0336 0.0499 0.0499 0.5938 0.5938 2.7936 2.7936 3.8332 3.8332 4.3992 4.3992 7.3397 7.3397 10.4205 10.4205 10.9555 10.9555 12.9081 12.9081 k = 0.5000-0.0722 0.5613 ( 8766 PWs) bands (ev): -39.3083 -39.3083 -39.3074 -39.3074 -14.7761 -14.7761 -14.7759 -14.7759 -13.7472 -13.7472 -13.7362 -13.7362 -13.7346 -13.7346 -0.6332 -0.6332 -0.3164 -0.3164 -0.1476 -0.1476 0.0336 0.0336 0.0486 0.0486 0.5953 0.5953 2.7487 2.7487 3.8653 3.8653 4.3587 4.3587 7.5295 7.5295 10.1980 10.1980 11.0702 11.0702 12.7484 12.7484 k = 0.5000-0.0601 0.5698 ( 8758 PWs) bands (ev): -39.3082 -39.3082 -39.3074 -39.3074 -14.7761 -14.7761 -14.7759 -14.7759 -13.7472 -13.7472 -13.7362 -13.7362 -13.7347 -13.7347 -0.6270 -0.6270 -0.3168 -0.3168 -0.1472 -0.1472 0.0336 0.0336 0.0474 0.0474 0.5966 0.5966 2.7103 2.7103 3.8984 3.8984 4.3184 4.3184 7.7200 7.7200 9.9796 9.9796 11.1896 11.1896 12.5911 12.5911 k = 0.5000-0.0481 0.5784 ( 8760 PWs) bands (ev): -39.3081 -39.3081 -39.3075 -39.3075 -14.7761 -14.7761 -14.7759 -14.7759 -13.7472 -13.7472 -13.7361 -13.7361 -13.7347 -13.7347 -0.6217 -0.6217 -0.3171 -0.3171 -0.1468 -0.1468 0.0337 0.0337 0.0463 0.0463 0.5977 0.5977 2.6786 2.6786 3.9319 3.9319 4.2787 4.2787 7.9094 7.9094 9.7672 9.7672 11.3132 11.3132 12.4364 12.4364 k = 0.5000-0.0361 0.5869 ( 8764 PWs) bands (ev): -39.3081 -39.3081 -39.3076 -39.3076 -14.7761 -14.7761 -14.7759 -14.7759 -13.7472 -13.7472 -13.7361 -13.7361 -13.7348 -13.7348 -0.6175 -0.6175 -0.3175 -0.3175 -0.1465 -0.1465 0.0337 0.0337 0.0454 0.0454 0.5987 0.5987 2.6538 2.6538 3.9653 3.9653 4.2405 4.2405 8.0943 8.0943 9.5644 9.5644 11.4410 11.4410 12.2846 12.2846 k = 0.5000-0.0241 0.5954 ( 8760 PWs) bands (ev): -39.3080 -39.3080 -39.3077 -39.3077 -14.7760 -14.7760 -14.7759 -14.7759 -13.7472 -13.7472 -13.7361 -13.7361 -13.7348 -13.7348 -0.6144 -0.6144 -0.3177 -0.3177 -0.1463 -0.1463 0.0338 0.0338 0.0447 0.0447 0.5993 0.5993 2.6360 2.6360 3.9968 3.9968 4.2055 4.2055 8.2666 8.2666 9.3792 9.3792 11.5727 11.5727 12.1357 12.1357 k = 0.5000-0.0120 0.6039 ( 8760 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7760 -14.7760 -14.7759 -14.7759 -13.7472 -13.7472 -13.7361 -13.7361 -13.7348 -13.7348 -0.6125 -0.6125 -0.3178 -0.3178 -0.1462 -0.1462 0.0339 0.0339 0.0443 0.0443 0.5998 0.5998 2.6253 2.6253 4.0226 4.0226 4.1776 4.1776 8.4057 8.4057 9.2323 9.2323 11.7082 11.7082 11.9899 11.9899 k = 0.5000 0.0000 0.6124 ( 8760 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7760 -14.7760 -14.7759 -14.7759 -13.7472 -13.7472 -13.7360 -13.7360 -13.7348 -13.7348 -0.6119 -0.6119 -0.3179 -0.3179 -0.1461 -0.1461 0.0339 0.0339 0.0441 0.0441 0.5999 0.5999 2.6217 2.6217 4.0336 4.0336 4.1659 4.1659 8.4648 8.4648 9.1706 9.1706 11.8438 11.8438 11.8508 11.8508 k = 0.5000 0.0000 0.6124 ( 8760 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7760 -14.7760 -14.7759 -14.7759 -13.7472 -13.7472 -13.7360 -13.7360 -13.7348 -13.7348 -0.6119 -0.6119 -0.3179 -0.3179 -0.1461 -0.1461 0.0339 0.0339 0.0441 0.0441 0.5999 0.5999 2.6217 2.6217 4.0336 4.0336 4.1659 4.1659 8.4648 8.4648 9.1706 9.1706 11.8438 11.8438 11.8508 11.8508 k = 0.4926 0.0127 0.6124 ( 8760 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7761 -14.7761 -14.7759 -14.7759 -13.7472 -13.7472 -13.7360 -13.7360 -13.7348 -13.7348 -0.6121 -0.6121 -0.3179 -0.3179 -0.1462 -0.1462 0.0339 0.0339 0.0442 0.0442 0.5991 0.5991 2.6212 2.6212 4.0298 4.0298 4.1756 4.1756 8.4333 8.4333 9.2023 9.2023 11.7519 11.7519 11.9475 11.9475 k = 0.4853 0.0255 0.6124 ( 8756 PWs) bands (ev): -39.3079 -39.3079 -39.3077 -39.3077 -14.7761 -14.7761 -14.7759 -14.7759 -13.7472 -13.7472 -13.7361 -13.7361 -13.7348 -13.7348 -0.6127 -0.6127 -0.3178 -0.3178 -0.1464 -0.1464 0.0338 0.0338 0.0444 0.0444 0.5968 0.5968 2.6195 2.6195 4.0184 4.0184 4.2047 4.2047 8.3498 8.3498 9.2865 9.2865 11.6643 11.6643 12.0490 12.0490 k = 0.4779 0.0382 0.6124 ( 8756 PWs) bands (ev): -39.3080 -39.3080 -39.3077 -39.3077 -14.7761 -14.7761 -14.7759 -14.7759 -13.7472 -13.7472 -13.7361 -13.7361 -13.7348 -13.7348 -0.6136 -0.6136 -0.3177 -0.3177 -0.1467 -0.1467 0.0337 0.0337 0.0447 0.0447 0.5934 0.5934 2.6164 2.6164 4.0024 4.0024 4.2499 4.2499 8.2351 8.2351 9.4031 9.4031 11.5843 11.5843 12.1518 12.1518 k = 0.4706 0.0509 0.6124 ( 8752 PWs) bands (ev): -39.3080 -39.3080 -39.3076 -39.3076 -14.7762 -14.7762 -14.7758 -14.7758 -13.7472 -13.7472 -13.7361 -13.7361 -13.7347 -13.7347 -0.6149 -0.6149 -0.3176 -0.3176 -0.1470 -0.1470 0.0335 0.0335 0.0451 0.0451 0.5890 0.5890 2.6119 2.6119 3.9846 3.9846 4.3076 4.3076 8.1036 8.1036 9.5381 9.5381 11.5115 11.5115 12.2554 12.2554 k = 0.4632 0.0637 0.6124 ( 8758 PWs) bands (ev): -39.3081 -39.3081 -39.3076 -39.3076 -14.7762 -14.7762 -14.7758 -14.7758 -13.7472 -13.7472 -13.7361 -13.7361 -13.7347 -13.7347 -0.6163 -0.6163 -0.3175 -0.3175 -0.1474 -0.1474 0.0333 0.0333 0.0456 0.0456 0.5841 0.5841 2.6063 2.6063 3.9666 3.9666 4.3756 4.3756 7.9630 7.9630 9.6844 9.6844 11.4456 11.4456 12.3598 12.3598 k = 0.4559 0.0764 0.6124 ( 8756 PWs) bands (ev): -39.3081 -39.3081 -39.3075 -39.3075 -14.7762 -14.7762 -14.7758 -14.7758 -13.7472 -13.7472 -13.7362 -13.7362 -13.7347 -13.7347 -0.6179 -0.6179 -0.3174 -0.3174 -0.1479 -0.1479 0.0330 0.0330 0.0462 0.0462 0.5788 0.5788 2.5997 2.5997 3.9492 3.9492 4.4521 4.4521 7.8177 7.8177 9.8382 9.8382 11.3863 11.3863 12.4645 12.4645 k = 0.4485 0.0891 0.6124 ( 8747 PWs) bands (ev): -39.3082 -39.3082 -39.3075 -39.3075 -14.7763 -14.7763 -14.7757 -14.7757 -13.7472 -13.7472 -13.7362 -13.7362 -13.7347 -13.7347 -0.6196 -0.6196 -0.3172 -0.3172 -0.1483 -0.1483 0.0328 0.0328 0.0468 0.0468 0.5734 0.5734 2.5924 2.5924 3.9329 3.9329 4.5359 4.5359 7.6703 7.6703 9.9975 9.9975 11.3334 11.3334 12.5691 12.5691 k = 0.4412 0.1019 0.6124 ( 8751 PWs) bands (ev): -39.3082 -39.3082 -39.3075 -39.3075 -14.7763 -14.7763 -14.7757 -14.7757 -13.7472 -13.7472 -13.7362 -13.7362 -13.7346 -13.7346 -0.6214 -0.6214 -0.3170 -0.3170 -0.1488 -0.1488 0.0325 0.0325 0.0474 0.0474 0.5679 0.5679 2.5848 2.5848 3.9178 3.9178 4.6254 4.6254 7.5228 7.5228 10.1610 10.1610 11.2868 11.2868 12.6730 12.6730 k = 0.4338 0.1146 0.6124 ( 8745 PWs) bands (ev): -39.3082 -39.3082 -39.3074 -39.3074 -14.7763 -14.7763 -14.7757 -14.7757 -13.7473 -13.7473 -13.7362 -13.7362 -13.7346 -13.7346 -0.6231 -0.6231 -0.3169 -0.3169 -0.1492 -0.1492 0.0323 0.0323 0.0481 0.0481 0.5627 0.5627 2.5772 2.5772 3.9042 3.9042 4.7195 4.7195 7.3768 7.3768 10.3278 10.3278 11.2463 11.2463 12.7753 12.7753 k = 0.4265 0.1274 0.6124 ( 8743 PWs) bands (ev): -39.3082 -39.3082 -39.3074 -39.3074 -14.7764 -14.7764 -14.7757 -14.7757 -13.7473 -13.7473 -13.7363 -13.7363 -13.7346 -13.7346 -0.6248 -0.6248 -0.3167 -0.3167 -0.1496 -0.1496 0.0321 0.0321 0.0487 0.0487 0.5578 0.5578 2.5698 2.5698 3.8920 3.8920 4.8164 4.8164 7.2342 7.2342 10.4967 10.4967 11.2122 11.2122 12.8746 12.8746 k = 0.4191 0.1401 0.6124 ( 8743 PWs) bands (ev): -39.3083 -39.3083 -39.3074 -39.3074 -14.7764 -14.7764 -14.7757 -14.7757 -13.7473 -13.7473 -13.7363 -13.7363 -13.7345 -13.7345 -0.6264 -0.6264 -0.3166 -0.3166 -0.1500 -0.1500 0.0319 0.0319 0.0493 0.0493 0.5533 0.5533 2.5629 2.5629 3.8814 3.8814 4.9142 4.9142 7.0967 7.0967 10.6664 10.6664 11.1854 11.1854 12.9362 12.9362 k = 0.4118 0.1528 0.6124 ( 8749 PWs) bands (ev): -39.3083 -39.3083 -39.3074 -39.3074 -14.7764 -14.7764 -14.7756 -14.7756 -13.7473 -13.7473 -13.7363 -13.7363 -13.7345 -13.7345 -0.6278 -0.6278 -0.3164 -0.3164 -0.1503 -0.1503 0.0317 0.0317 0.0498 0.0498 0.5494 0.5494 2.5567 2.5567 3.8724 3.8724 5.0106 5.0106 6.9669 6.9669 10.8327 10.8327 11.1692 11.1692 12.7611 12.7611 k = 0.4044 0.1656 0.6124 ( 8753 PWs) bands (ev): -39.3083 -39.3083 -39.3074 -39.3074 -14.7765 -14.7765 -14.7756 -14.7756 -13.7473 -13.7473 -13.7363 -13.7363 -13.7345 -13.7345 -0.6290 -0.6290 -0.3163 -0.3163 -0.1506 -0.1506 0.0315 0.0315 0.0503 0.0503 0.5460 0.5460 2.5514 2.5514 3.8650 3.8650 5.1022 5.1022 6.8480 6.8480 10.9790 10.9790 11.1795 11.1795 12.5739 12.5739 k = 0.3971 0.1783 0.6124 ( 8747 PWs) bands (ev): -39.3083 -39.3083 -39.3073 -39.3073 -14.7765 -14.7765 -14.7756 -14.7756 -13.7473 -13.7473 -13.7364 -13.7364 -13.7345 -13.7345 -0.6300 -0.6300 -0.3162 -0.3162 -0.1508 -0.1508 0.0314 0.0314 0.0506 0.0506 0.5434 0.5434 2.5471 2.5471 3.8592 3.8592 5.1846 5.1846 6.7445 6.7445 11.0525 11.0525 11.2681 11.2681 12.3874 12.3874 k = 0.3897 0.1910 0.6124 ( 8749 PWs) bands (ev): -39.3083 -39.3083 -39.3073 -39.3073 -14.7765 -14.7765 -14.7756 -14.7756 -13.7473 -13.7473 -13.7364 -13.7364 -13.7345 -13.7345 -0.6307 -0.6307 -0.3161 -0.3161 -0.1509 -0.1509 0.0313 0.0313 0.0509 0.0509 0.5414 0.5414 2.5440 2.5440 3.8551 3.8551 5.2516 5.2516 6.6624 6.6624 11.0652 11.0652 11.4204 11.4204 12.2046 12.2046 k = 0.3824 0.2038 0.6124 ( 8754 PWs) bands (ev): -39.3083 -39.3083 -39.3073 -39.3073 -14.7765 -14.7765 -14.7756 -14.7756 -13.7474 -13.7474 -13.7364 -13.7364 -13.7345 -13.7345 -0.6311 -0.6311 -0.3161 -0.3161 -0.1510 -0.1510 0.0313 0.0313 0.0511 0.0511 0.5403 0.5403 2.5421 2.5421 3.8526 3.8526 5.2962 5.2962 6.6088 6.6088 11.0655 11.0655 11.5791 11.5791 12.0350 12.0350 k = 0.3750 0.2165 0.6124 ( 8744 PWs) bands (ev): -39.3083 -39.3083 -39.3073 -39.3073 -14.7765 -14.7765 -14.7756 -14.7756 -13.7473 -13.7473 -13.7364 -13.7364 -13.7345 -13.7345 -0.6313 -0.6313 -0.3161 -0.3161 -0.1511 -0.1511 0.0312 0.0312 0.0511 0.0511 0.5399 0.5399 2.5414 2.5414 3.8518 3.8518 5.3119 5.3119 6.5900 6.5900 11.0650 11.0650 11.6733 11.6733 11.9377 11.9377 k = 0.3750 0.2165 0.6124 ( 8744 PWs) bands (ev): -39.3083 -39.3083 -39.3073 -39.3073 -14.7765 -14.7765 -14.7756 -14.7756 -13.7473 -13.7473 -13.7364 -13.7364 -13.7345 -13.7345 -0.6313 -0.6313 -0.3161 -0.3161 -0.1511 -0.1511 0.0312 0.0312 0.0511 0.0511 0.5399 0.5399 2.5414 2.5414 3.8518 3.8518 5.3119 5.3119 6.5900 6.5900 11.0650 11.0650 11.6733 11.6733 11.9377 11.9377 k = 0.3676 0.2123 0.6004 ( 8748 PWs) bands (ev): -39.3082 -39.3082 -39.3074 -39.3074 -14.7765 -14.7765 -14.7756 -14.7756 -13.7474 -13.7474 -13.7364 -13.7364 -13.7345 -13.7345 -0.6220 -0.6220 -0.3167 -0.3167 -0.1516 -0.1516 0.0307 0.0307 0.0498 0.0498 0.5261 0.5261 2.4765 2.4765 3.8889 3.8889 5.3684 5.3684 6.6915 6.6915 11.1810 11.1810 11.5639 11.5639 11.7978 11.7978 k = 0.3603 0.2080 0.5884 ( 8748 PWs) bands (ev): -39.3082 -39.3082 -39.3075 -39.3075 -14.7766 -14.7766 -14.7755 -14.7755 -13.7474 -13.7474 -13.7364 -13.7364 -13.7345 -13.7345 -0.6133 -0.6133 -0.3173 -0.3173 -0.1524 -0.1524 0.0300 0.0300 0.0486 0.0486 0.5092 0.5092 2.4199 2.4199 3.9281 3.9281 5.4278 5.4278 6.7909 6.7909 11.2408 11.2408 11.5169 11.5169 11.6621 11.6621 k = 0.3529 0.2038 0.5764 ( 8748 PWs) bands (ev): -39.3081 -39.3081 -39.3076 -39.3076 -14.7766 -14.7766 -14.7755 -14.7755 -13.7474 -13.7474 -13.7364 -13.7364 -13.7345 -13.7345 -0.6051 -0.6051 -0.3179 -0.3179 -0.1536 -0.1536 0.0294 0.0294 0.0473 0.0473 0.4891 0.4891 2.3721 2.3721 3.9693 3.9693 5.4899 5.4899 6.8883 6.8883 11.1853 11.1853 11.5055 11.5055 11.6167 11.6167 k = 0.3456 0.1995 0.5643 ( 8744 PWs) bands (ev): -39.3080 -39.3080 -39.3077 -39.3077 -14.7767 -14.7767 -14.7755 -14.7755 -13.7474 -13.7474 -13.7364 -13.7364 -13.7345 -13.7345 -0.5978 -0.5978 -0.3186 -0.3186 -0.1552 -0.1552 0.0286 0.0286 0.0461 0.0461 0.4658 0.4658 2.3336 2.3336 4.0127 4.0127 5.5548 5.5548 6.9838 6.9838 11.0788 11.0788 11.3772 11.3772 11.7498 11.7498 k = 0.3382 0.1953 0.5523 ( 8746 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7767 -14.7767 -14.7755 -14.7755 -13.7475 -13.7475 -13.7364 -13.7364 -13.7345 -13.7345 -0.5914 -0.5914 -0.3192 -0.3192 -0.1574 -0.1574 0.0278 0.0278 0.0448 0.0448 0.4392 0.4392 2.3047 2.3047 4.0582 4.0582 5.6225 5.6225 7.0777 7.0777 10.9612 10.9612 11.2440 11.2440 11.9095 11.9095 k = 0.3309 0.1910 0.5403 ( 8762 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7768 -14.7768 -14.7755 -14.7755 -13.7475 -13.7475 -13.7364 -13.7364 -13.7346 -13.7346 -0.5863 -0.5863 -0.3199 -0.3199 -0.1604 -0.1604 0.0270 0.0270 0.0436 0.0436 0.4098 0.4098 2.2854 2.2854 4.1057 4.1057 5.6927 5.6927 7.1702 7.1702 10.8415 10.8415 11.1121 11.1121 12.0806 12.0806 k = 0.3235 0.1868 0.5283 ( 8742 PWs) bands (ev): -39.3080 -39.3080 -39.3077 -39.3077 -14.7768 -14.7768 -14.7755 -14.7755 -13.7476 -13.7476 -13.7364 -13.7364 -13.7346 -13.7346 -0.5826 -0.5826 -0.3206 -0.3206 -0.1642 -0.1642 0.0262 0.0262 0.0425 0.0425 0.3780 0.3780 2.2758 2.2758 4.1552 4.1552 5.7655 5.7655 7.2613 7.2613 10.7222 10.7222 10.9821 10.9821 12.2597 12.2597 k = 0.3162 0.1825 0.5163 ( 8748 PWs) bands (ev): -39.3081 -39.3081 -39.3076 -39.3076 -14.7769 -14.7769 -14.7755 -14.7755 -13.7476 -13.7476 -13.7365 -13.7365 -13.7346 -13.7346 -0.5806 -0.5806 -0.3213 -0.3213 -0.1692 -0.1692 0.0252 0.0252 0.0413 0.0413 0.3446 0.3446 2.2756 2.2756 4.2068 4.2068 5.8408 5.8408 7.3513 7.3513 10.6044 10.6044 10.8544 10.8544 12.3443 12.3443 k = 0.3088 0.1783 0.5043 ( 8748 PWs) bands (ev): -39.3082 -39.3082 -39.3075 -39.3075 -14.7770 -14.7770 -14.7755 -14.7755 -13.7477 -13.7477 -13.7365 -13.7365 -13.7346 -13.7346 -0.5807 -0.5807 -0.3219 -0.3219 -0.1754 -0.1754 0.0243 0.0243 0.0402 0.0402 0.3104 0.3104 2.2847 2.2847 4.2605 4.2605 5.9185 5.9185 7.4403 7.4403 10.4885 10.4885 10.7292 10.7292 12.2325 12.2325 k = 0.3015 0.1741 0.4923 ( 8760 PWs) bands (ev): -39.3083 -39.3083 -39.3074 -39.3074 -14.7770 -14.7770 -14.7755 -14.7755 -13.7478 -13.7478 -13.7366 -13.7366 -13.7346 -13.7346 -0.5833 -0.5833 -0.3226 -0.3226 -0.1830 -0.1830 0.0233 0.0233 0.0391 0.0391 0.2763 0.2763 2.3025 2.3025 4.3161 4.3161 5.9985 5.9985 7.5286 7.5286 10.3749 10.3749 10.6067 10.6067 12.1234 12.1234 k = 0.2941 0.1698 0.4803 ( 8764 PWs) bands (ev): -39.3084 -39.3084 -39.3073 -39.3073 -14.7771 -14.7771 -14.7755 -14.7755 -13.7479 -13.7479 -13.7366 -13.7366 -13.7346 -13.7346 -0.5887 -0.5887 -0.3233 -0.3233 -0.1921 -0.1921 0.0223 0.0223 0.0380 0.0380 0.2434 0.2434 2.3286 2.3286 4.3738 4.3738 6.0806 6.0806 7.6163 7.6163 10.2638 10.2638 10.4870 10.4870 12.0168 12.0168 k = 0.2868 0.1656 0.4683 ( 8772 PWs) bands (ev): -39.3085 -39.3085 -39.3072 -39.3072 -14.7772 -14.7772 -14.7755 -14.7755 -13.7480 -13.7480 -13.7367 -13.7367 -13.7346 -13.7346 -0.5975 -0.5975 -0.3240 -0.3240 -0.2026 -0.2026 0.0212 0.0212 0.0369 0.0369 0.2127 0.2127 2.3627 2.3627 4.4335 4.4335 6.1647 6.1647 7.7036 7.7036 10.1552 10.1552 10.3703 10.3703 11.9128 11.9128 k = 0.2794 0.1613 0.4563 ( 8764 PWs) bands (ev): -39.3086 -39.3086 -39.3071 -39.3071 -14.7772 -14.7772 -14.7756 -14.7756 -13.7481 -13.7481 -13.7367 -13.7367 -13.7346 -13.7346 -0.6103 -0.6103 -0.3246 -0.3246 -0.2143 -0.2143 0.0202 0.0202 0.0359 0.0359 0.1848 0.1848 2.4042 2.4042 4.4951 4.4951 6.2507 6.2507 7.7907 7.7907 10.0492 10.0492 10.2567 10.2567 11.8115 11.8115 k = 0.2721 0.1571 0.4443 ( 8756 PWs) bands (ev): -39.3088 -39.3088 -39.3069 -39.3069 -14.7773 -14.7773 -14.7756 -14.7756 -13.7482 -13.7482 -13.7368 -13.7368 -13.7346 -13.7346 -0.6276 -0.6276 -0.3253 -0.3253 -0.2268 -0.2268 0.0192 0.0192 0.0349 0.0349 0.1603 0.1603 2.4527 2.4527 4.5587 4.5587 6.3385 6.3385 7.8776 7.8776 9.9460 9.9460 10.1464 10.1464 11.7128 11.7128 k = 0.2647 0.1528 0.4323 ( 8752 PWs) bands (ev): -39.3089 -39.3089 -39.3068 -39.3068 -14.7773 -14.7773 -14.7756 -14.7756 -13.7483 -13.7483 -13.7368 -13.7368 -13.7346 -13.7346 -0.6497 -0.6497 -0.3259 -0.3259 -0.2394 -0.2394 0.0183 0.0183 0.0339 0.0339 0.1393 0.1393 2.5078 2.5078 4.6243 4.6243 6.4277 6.4277 7.9646 7.9646 9.8457 9.8457 10.0396 10.0396 11.6168 11.6168 k = 0.2574 0.1486 0.4203 ( 8752 PWs) bands (ev): -39.3090 -39.3090 -39.3067 -39.3067 -14.7774 -14.7774 -14.7757 -14.7757 -13.7484 -13.7484 -13.7369 -13.7369 -13.7346 -13.7346 -0.6767 -0.6767 -0.3265 -0.3265 -0.2515 -0.2515 0.0175 0.0175 0.0329 0.0329 0.1218 0.1218 2.5690 2.5690 4.6917 4.6917 6.5182 6.5182 8.0517 8.0517 9.7483 9.7483 9.9365 9.9365 11.5234 11.5234 k = 0.2500 0.1443 0.4082 ( 8760 PWs) bands (ev): -39.3091 -39.3091 -39.3066 -39.3066 -14.7775 -14.7775 -14.7757 -14.7757 -13.7485 -13.7485 -13.7369 -13.7369 -13.7347 -13.7347 -0.7086 -0.7086 -0.3270 -0.3270 -0.2626 -0.2626 0.0167 0.0167 0.0319 0.0319 0.1075 0.1075 2.6361 2.6361 4.7611 4.7611 6.6096 6.6096 8.1389 8.1389 9.6539 9.6539 9.8373 9.8373 11.4327 11.4327 k = 0.2426 0.1401 0.3962 ( 8766 PWs) bands (ev): -39.3092 -39.3092 -39.3065 -39.3065 -14.7775 -14.7775 -14.7758 -14.7758 -13.7486 -13.7486 -13.7370 -13.7370 -13.7347 -13.7347 -0.7449 -0.7449 -0.3275 -0.3275 -0.2724 -0.2724 0.0161 0.0161 0.0310 0.0310 0.0958 0.0958 2.7087 2.7087 4.8323 4.8323 6.7016 6.7016 8.2265 8.2265 9.5626 9.5626 9.7424 9.7424 11.3446 11.3446 k = 0.2353 0.1358 0.3842 ( 8772 PWs) bands (ev): -39.3093 -39.3093 -39.3064 -39.3064 -14.7776 -14.7776 -14.7759 -14.7759 -13.7488 -13.7488 -13.7370 -13.7370 -13.7348 -13.7348 -0.7850 -0.7850 -0.3280 -0.3280 -0.2808 -0.2808 0.0157 0.0157 0.0302 0.0302 0.0864 0.0864 2.7865 2.7865 4.9054 4.9054 6.7938 6.7938 8.3143 8.3143 9.4746 9.4746 9.6522 9.6522 11.2592 11.2592 k = 0.2279 0.1316 0.3722 ( 8762 PWs) bands (ev): -39.3095 -39.3095 -39.3063 -39.3063 -14.7776 -14.7776 -14.7760 -14.7760 -13.7489 -13.7489 -13.7371 -13.7371 -13.7348 -13.7348 -0.8283 -0.8283 -0.3283 -0.3283 -0.2878 -0.2878 0.0155 0.0155 0.0293 0.0293 0.0788 0.0788 2.8692 2.8692 4.9803 4.9803 6.8858 6.8858 8.4023 8.4023 9.3898 9.3898 9.5670 9.5670 11.1764 11.1764 k = 0.2206 0.1274 0.3602 ( 8762 PWs) bands (ev): -39.3096 -39.3096 -39.3061 -39.3061 -14.7777 -14.7777 -14.7760 -14.7760 -13.7490 -13.7490 -13.7371 -13.7371 -13.7349 -13.7349 -0.8739 -0.8739 -0.3286 -0.3286 -0.2935 -0.2935 0.0154 0.0154 0.0286 0.0286 0.0726 0.0726 2.9567 2.9567 5.0570 5.0570 6.9767 6.9767 8.4905 8.4905 9.3085 9.3085 9.4877 9.4877 11.0963 11.0963 k = 0.2132 0.1231 0.3482 ( 8762 PWs) bands (ev): -39.3097 -39.3097 -39.3060 -39.3060 -14.7778 -14.7778 -14.7761 -14.7761 -13.7492 -13.7492 -13.7372 -13.7372 -13.7350 -13.7350 -0.9212 -0.9212 -0.3288 -0.3288 -0.2982 -0.2982 0.0155 0.0155 0.0278 0.0278 0.0676 0.0676 3.0486 3.0486 5.1355 5.1355 7.0660 7.0660 8.5784 8.5784 9.2309 9.2309 9.4149 9.4149 11.0189 11.0189 k = 0.2059 0.1189 0.3362 ( 8752 PWs) bands (ev): -39.3098 -39.3098 -39.3059 -39.3059 -14.7778 -14.7778 -14.7762 -14.7762 -13.7493 -13.7493 -13.7372 -13.7372 -13.7351 -13.7351 -0.9696 -0.9696 -0.3289 -0.3289 -0.3021 -0.3021 0.0158 0.0158 0.0271 0.0271 0.0634 0.0634 3.1449 3.1449 5.2156 5.2156 7.1526 7.1526 8.6654 8.6654 9.1576 9.1576 9.3497 9.3497 10.9442 10.9442 k = 0.1985 0.1146 0.3242 ( 8744 PWs) bands (ev): -39.3099 -39.3099 -39.3058 -39.3058 -14.7779 -14.7779 -14.7763 -14.7763 -13.7495 -13.7495 -13.7372 -13.7372 -13.7351 -13.7351 -1.0185 -1.0185 -0.3290 -0.3290 -0.3052 -0.3052 0.0163 0.0163 0.0265 0.0265 0.0599 0.0599 3.2452 3.2452 5.2973 5.2973 7.2355 7.2355 8.7490 8.7490 9.0908 9.0908 9.2934 9.2934 10.8721 10.8721 k = 0.1912 0.1104 0.3122 ( 8754 PWs) bands (ev): -39.3100 -39.3100 -39.3057 -39.3057 -14.7779 -14.7779 -14.7764 -14.7764 -13.7496 -13.7496 -13.7373 -13.7373 -13.7352 -13.7352 -1.0674 -1.0674 -0.3289 -0.3289 -0.3078 -0.3078 0.0168 0.0168 0.0259 0.0259 0.0570 0.0570 3.3495 3.3495 5.3806 5.3806 7.3134 7.3134 8.8208 8.8208 9.0386 9.0386 9.2475 9.2475 10.8027 10.8027 k = 0.1838 0.1061 0.3002 ( 8770 PWs) bands (ev): -39.3102 -39.3102 -39.3056 -39.3056 -14.7780 -14.7780 -14.7765 -14.7765 -13.7498 -13.7498 -13.7373 -13.7373 -13.7354 -13.7354 -1.1161 -1.1161 -0.3288 -0.3288 -0.3099 -0.3099 0.0175 0.0175 0.0254 0.0254 0.0545 0.0545 3.4576 3.4576 5.4654 5.4654 7.3849 7.3849 8.8506 8.8506 9.0310 9.0310 9.2133 9.2133 10.7359 10.7359 k = 0.1765 0.1019 0.2882 ( 8767 PWs) bands (ev): -39.3103 -39.3103 -39.3055 -39.3055 -14.7780 -14.7780 -14.7767 -14.7767 -13.7500 -13.7500 -13.7373 -13.7373 -13.7355 -13.7355 -1.1641 -1.1641 -0.3287 -0.3287 -0.3117 -0.3117 0.0182 0.0182 0.0249 0.0249 0.0523 0.0523 3.5692 3.5692 5.5517 5.5517 7.4485 7.4485 8.8200 8.8200 9.0861 9.0861 9.1925 9.1925 10.6718 10.6718 k = 0.1691 0.0976 0.2762 ( 8767 PWs) bands (ev): -39.3104 -39.3104 -39.3054 -39.3054 -14.7781 -14.7781 -14.7768 -14.7768 -13.7501 -13.7501 -13.7373 -13.7373 -13.7356 -13.7356 -1.2113 -1.2113 -0.3284 -0.3284 -0.3132 -0.3132 0.0189 0.0189 0.0245 0.0245 0.0504 0.0504 3.6843 3.6843 5.6392 5.6392 7.5028 7.5028 8.7658 8.7658 9.1669 9.1669 9.1865 9.1865 10.6103 10.6103 k = 0.1618 0.0934 0.2642 ( 8779 PWs) bands (ev): -39.3105 -39.3105 -39.3053 -39.3053 -14.7781 -14.7781 -14.7769 -14.7769 -13.7503 -13.7503 -13.7374 -13.7374 -13.7357 -13.7357 -1.2573 -1.2573 -0.3282 -0.3282 -0.3145 -0.3145 0.0196 0.0196 0.0243 0.0243 0.0488 0.0488 3.8028 3.8028 5.7280 5.7280 7.5468 7.5468 8.7062 8.7062 9.1958 9.1958 9.2556 9.2556 10.5515 10.5515 k = 0.1544 0.0891 0.2522 ( 8783 PWs) bands (ev): -39.3106 -39.3106 -39.3052 -39.3052 -14.7782 -14.7782 -14.7770 -14.7770 -13.7504 -13.7504 -13.7374 -13.7374 -13.7358 -13.7358 -1.3020 -1.3020 -0.3279 -0.3279 -0.3156 -0.3156 0.0202 0.0202 0.0243 0.0243 0.0474 0.0474 3.9243 3.9243 5.8178 5.8178 7.5799 7.5799 8.6455 8.6455 9.2214 9.2214 9.3468 9.3468 10.4953 10.4953 k = 0.1471 0.0849 0.2401 ( 8785 PWs) bands (ev): -39.3107 -39.3107 -39.3051 -39.3051 -14.7782 -14.7782 -14.7771 -14.7771 -13.7506 -13.7506 -13.7374 -13.7374 -13.7359 -13.7359 -1.3453 -1.3453 -0.3276 -0.3276 -0.3165 -0.3165 0.0204 0.0204 0.0246 0.0246 0.0461 0.0461 4.0488 4.0488 5.9086 5.9086 7.6022 7.6022 8.5851 8.5851 9.2628 9.2628 9.4392 9.4392 10.4418 10.4418 k = 0.1397 0.0807 0.2281 ( 8789 PWs) bands (ev): -39.3108 -39.3108 -39.3050 -39.3050 -14.7783 -14.7783 -14.7773 -14.7773 -13.7508 -13.7508 -13.7374 -13.7374 -13.7361 -13.7361 -1.3870 -1.3870 -0.3273 -0.3273 -0.3174 -0.3174 0.0204 0.0204 0.0252 0.0252 0.0450 0.0450 4.1762 4.1762 6.0002 6.0002 7.6144 7.6144 8.5255 8.5255 9.3190 9.3190 9.5320 9.5320 10.3909 10.3909 k = 0.1324 0.0764 0.2161 ( 8793 PWs) bands (ev): -39.3109 -39.3109 -39.3049 -39.3049 -14.7783 -14.7783 -14.7774 -14.7774 -13.7509 -13.7509 -13.7374 -13.7374 -13.7362 -13.7362 -1.4270 -1.4270 -0.3269 -0.3269 -0.3181 -0.3181 0.0202 0.0202 0.0261 0.0261 0.0441 0.0441 4.3061 4.3061 6.0923 6.0923 7.6179 7.6179 8.4668 8.4668 9.3886 9.3886 9.6246 9.6246 10.3426 10.3426 k = 0.1250 0.0722 0.2041 ( 8773 PWs) bands (ev): -39.3110 -39.3110 -39.3049 -39.3049 -14.7783 -14.7783 -14.7775 -14.7775 -13.7511 -13.7511 -13.7374 -13.7374 -13.7363 -13.7363 -1.4652 -1.4652 -0.3266 -0.3266 -0.3187 -0.3187 0.0199 0.0199 0.0271 0.0271 0.0432 0.0432 4.4386 4.4386 6.1848 6.1848 7.6141 7.6141 8.4090 8.4090 9.4698 9.4698 9.7164 9.7164 10.2970 10.2970 k = 0.1176 0.0679 0.1921 ( 8777 PWs) bands (ev): -39.3110 -39.3110 -39.3048 -39.3048 -14.7784 -14.7784 -14.7776 -14.7776 -13.7512 -13.7512 -13.7375 -13.7375 -13.7364 -13.7364 -1.5015 -1.5015 -0.3262 -0.3262 -0.3193 -0.3193 0.0195 0.0195 0.0281 0.0281 0.0425 0.0425 4.5732 4.5732 6.2772 6.2772 7.6046 7.6046 8.3519 8.3519 9.5606 9.5606 9.8070 9.8070 10.2540 10.2540 k = 0.1103 0.0637 0.1801 ( 8761 PWs) bands (ev): -39.3111 -39.3111 -39.3047 -39.3047 -14.7784 -14.7784 -14.7777 -14.7777 -13.7513 -13.7513 -13.7375 -13.7375 -13.7365 -13.7365 -1.5359 -1.5359 -0.3259 -0.3259 -0.3199 -0.3199 0.0191 0.0191 0.0291 0.0291 0.0419 0.0419 4.7098 4.7098 6.3693 6.3693 7.5910 7.5910 8.2954 8.2954 9.6591 9.6591 9.8955 9.8955 10.2137 10.2137 k = 0.1029 0.0594 0.1681 ( 8767 PWs) bands (ev): -39.3112 -39.3112 -39.3046 -39.3046 -14.7785 -14.7785 -14.7778 -14.7778 -13.7515 -13.7515 -13.7375 -13.7375 -13.7366 -13.7366 -1.5682 -1.5682 -0.3256 -0.3256 -0.3203 -0.3203 0.0186 0.0186 0.0302 0.0302 0.0413 0.0413 4.8481 4.8481 6.4606 6.4606 7.5747 7.5747 8.2393 8.2393 9.7634 9.7634 9.9810 9.9810 10.1760 10.1760 k = 0.0956 0.0552 0.1561 ( 8775 PWs) bands (ev): -39.3113 -39.3113 -39.3046 -39.3046 -14.7785 -14.7785 -14.7779 -14.7779 -13.7516 -13.7516 -13.7375 -13.7375 -13.7367 -13.7367 -1.5986 -1.5986 -0.3253 -0.3253 -0.3208 -0.3208 0.0182 0.0182 0.0312 0.0312 0.0408 0.0408 4.9879 4.9879 6.5506 6.5506 7.5569 7.5569 8.1832 8.1832 9.8712 9.8712 10.0623 10.0623 10.1411 10.1411 k = 0.0882 0.0509 0.1441 ( 8781 PWs) bands (ev): -39.3113 -39.3113 -39.3045 -39.3045 -14.7785 -14.7785 -14.7781 -14.7781 -13.7517 -13.7517 -13.7375 -13.7375 -13.7368 -13.7368 -1.6268 -1.6268 -0.3250 -0.3250 -0.3211 -0.3211 0.0178 0.0178 0.0322 0.0322 0.0404 0.0404 5.1287 5.1287 6.6385 6.6385 7.5387 7.5387 8.1268 8.1268 9.9799 9.9799 10.1069 10.1069 10.1404 10.1404 k = 0.0809 0.0467 0.1321 ( 8761 PWs) bands (ev): -39.3114 -39.3114 -39.3044 -39.3044 -14.7785 -14.7785 -14.7781 -14.7781 -13.7518 -13.7518 -13.7375 -13.7375 -13.7369 -13.7369 -1.6529 -1.6529 -0.3247 -0.3247 -0.3215 -0.3215 0.0174 0.0174 0.0331 0.0331 0.0401 0.0401 5.2702 5.2702 6.7234 6.7234 7.5211 7.5211 8.0699 8.0699 10.0779 10.0779 10.0839 10.0839 10.2109 10.2109 k = 0.0735 0.0425 0.1201 ( 8761 PWs) bands (ev): -39.3115 -39.3115 -39.3044 -39.3044 -14.7786 -14.7786 -14.7782 -14.7782 -13.7520 -13.7520 -13.7375 -13.7375 -13.7370 -13.7370 -1.6768 -1.6768 -0.3245 -0.3245 -0.3218 -0.3218 0.0170 0.0170 0.0340 0.0340 0.0398 0.0398 5.4117 5.4117 6.8043 6.8043 7.5050 7.5050 8.0120 8.0120 10.0506 10.0506 10.1687 10.1687 10.2838 10.2838 k = 0.0662 0.0382 0.1081 ( 8751 PWs) bands (ev): -39.3115 -39.3115 -39.3043 -39.3043 -14.7786 -14.7786 -14.7783 -14.7783 -13.7521 -13.7521 -13.7375 -13.7375 -13.7371 -13.7371 -1.6985 -1.6985 -0.3242 -0.3242 -0.3221 -0.3221 0.0166 0.0166 0.0349 0.0349 0.0395 0.0395 5.5528 5.5528 6.8796 6.8796 7.4914 7.4914 7.9530 7.9530 10.0259 10.0259 10.2106 10.2106 10.3689 10.3689 k = 0.0588 0.0340 0.0961 ( 8737 PWs) bands (ev): -39.3116 -39.3116 -39.3043 -39.3043 -14.7786 -14.7786 -14.7784 -14.7784 -13.7521 -13.7521 -13.7375 -13.7375 -13.7372 -13.7372 -1.7180 -1.7180 -0.3240 -0.3240 -0.3223 -0.3223 0.0163 0.0163 0.0356 0.0356 0.0393 0.0393 5.6926 5.6926 6.9474 6.9474 7.4815 7.4815 7.8929 7.8929 10.0038 10.0038 10.2049 10.2049 10.3230 10.3230 k = 0.0515 0.0297 0.0841 ( 8745 PWs) bands (ev): -39.3116 -39.3116 -39.3042 -39.3042 -14.7786 -14.7786 -14.7785 -14.7785 -13.7522 -13.7522 -13.7375 -13.7375 -13.7373 -13.7373 -1.7352 -1.7352 -0.3238 -0.3238 -0.3225 -0.3225 0.0160 0.0160 0.0363 0.0363 0.0392 0.0392 5.8301 5.8301 7.0051 7.0051 7.4764 7.4764 7.8319 7.8319 9.9842 9.9842 10.1662 10.1662 10.2604 10.2604 k = 0.0441 0.0255 0.0720 ( 8741 PWs) bands (ev): -39.3116 -39.3116 -39.3042 -39.3042 -14.7786 -14.7786 -14.7785 -14.7785 -13.7523 -13.7523 -13.7375 -13.7375 -13.7373 -13.7373 -1.7502 -1.7502 -0.3237 -0.3237 -0.3227 -0.3227 0.0157 0.0157 0.0369 0.0369 0.0390 0.0390 5.9640 5.9640 7.0501 7.0501 7.4772 7.4772 7.7709 7.7709 9.9671 9.9671 10.1137 10.1137 10.1929 10.1929 k = 0.0368 0.0212 0.0600 ( 8747 PWs) bands (ev): -39.3117 -39.3117 -39.3042 -39.3042 -14.7787 -14.7787 -14.7786 -14.7786 -13.7524 -13.7524 -13.7375 -13.7375 -13.7374 -13.7374 -1.7629 -1.7629 -0.3235 -0.3235 -0.3229 -0.3229 0.0155 0.0155 0.0375 0.0375 0.0389 0.0389 6.0925 6.0925 7.0797 7.0797 7.4845 7.4845 7.7114 7.7114 9.9524 9.9524 10.0597 10.0597 10.1242 10.1242 k = 0.0294 0.0170 0.0480 ( 8749 PWs) bands (ev): -39.3117 -39.3117 -39.3041 -39.3041 -14.7787 -14.7787 -14.7786 -14.7786 -13.7524 -13.7524 -13.7375 -13.7375 -13.7374 -13.7374 -1.7733 -1.7733 -0.3234 -0.3234 -0.3230 -0.3230 0.0153 0.0153 0.0379 0.0379 0.0388 0.0388 6.2129 6.2129 7.0930 7.0930 7.4972 7.4972 7.6560 7.6560 9.9401 9.9401 10.0102 10.0102 10.0609 10.0609 k = 0.0221 0.0127 0.0360 ( 8755 PWs) bands (ev): -39.3117 -39.3117 -39.3041 -39.3041 -14.7787 -14.7787 -14.7786 -14.7786 -13.7525 -13.7525 -13.7375 -13.7375 -13.7374 -13.7374 -1.7814 -1.7814 -0.3233 -0.3233 -0.3231 -0.3231 0.0152 0.0152 0.0382 0.0382 0.0388 0.0388 6.3211 6.3211 7.0911 7.0911 7.5124 7.5124 7.6080 7.6080 9.9299 9.9299 9.9686 9.9686 10.0083 10.0083 k = 0.0147 0.0085 0.0240 ( 8771 PWs) bands (ev): -39.3117 -39.3117 -39.3041 -39.3041 -14.7787 -14.7787 -14.7787 -14.7787 -13.7525 -13.7525 -13.7375 -13.7375 -13.7375 -13.7375 -1.7872 -1.7872 -0.3233 -0.3233 -0.3232 -0.3232 0.0150 0.0150 0.0385 0.0385 0.0387 0.0387 6.4109 6.4109 7.0783 7.0783 7.5265 7.5265 7.5710 7.5710 9.9211 9.9211 9.9370 9.9370 9.9704 9.9704 k = 0.0074 0.0042 0.0120 ( 8801 PWs) bands (ev): -39.3117 -39.3117 -39.3041 -39.3041 -14.7787 -14.7787 -14.7787 -14.7787 -13.7525 -13.7525 -13.7375 -13.7375 -13.7375 -13.7375 -1.7906 -1.7906 -0.3232 -0.3232 -0.3232 -0.3232 0.0150 0.0150 0.0386 0.0386 0.0387 0.0387 6.4726 6.4726 7.0630 7.0630 7.5365 7.5365 7.5479 7.5479 9.9137 9.9137 9.9172 9.9172 9.9493 9.9493 k = 0.0000 0.0000 0.0000 ( 8801 PWs) bands (ev): -39.3117 -39.3117 -39.3041 -39.3041 -14.7787 -14.7787 -14.7787 -14.7787 -13.7525 -13.7525 -13.7375 -13.7375 -13.7375 -13.7375 -1.7918 -1.7918 -0.3232 -0.3232 -0.3232 -0.3232 0.0150 0.0150 0.0387 0.0387 0.0387 0.0387 6.4950 6.4950 7.0561 7.0561 7.5400 7.5400 7.5400 7.5400 9.9104 9.9104 9.9104 9.9104 9.9430 9.9430 k = 0.0000 0.0000 0.0000 ( 8801 PWs) bands (ev): -39.3117 -39.3117 -39.3041 -39.3041 -14.7787 -14.7787 -14.7787 -14.7787 -13.7525 -13.7525 -13.7375 -13.7375 -13.7375 -13.7375 -1.7918 -1.7918 -0.3232 -0.3232 -0.3232 -0.3232 0.0150 0.0150 0.0387 0.0387 0.0387 0.0387 6.4950 6.4950 7.0561 7.0561 7.5400 7.5400 7.5400 7.5400 9.9104 9.9104 9.9104 9.9104 9.9430 9.9430 k = 0.0122 0.0070 0.0050 ( 8801 PWs) bands (ev): -39.3117 -39.3117 -39.3041 -39.3041 -14.7787 -14.7787 -14.7787 -14.7787 -13.7525 -13.7525 -13.7375 -13.7375 -13.7375 -13.7375 -1.7906 -1.7906 -0.3232 -0.3232 -0.3232 -0.3232 0.0150 0.0150 0.0386 0.0386 0.0387 0.0387 6.4718 6.4718 7.0633 7.0633 7.5384 7.5384 7.5460 7.5460 9.9144 9.9144 9.9169 9.9169 9.9494 9.9494 k = 0.0244 0.0141 0.0100 ( 8771 PWs) bands (ev): -39.3117 -39.3117 -39.3041 -39.3041 -14.7787 -14.7787 -14.7787 -14.7787 -13.7525 -13.7525 -13.7375 -13.7375 -13.7375 -13.7375 -1.7870 -1.7870 -0.3233 -0.3233 -0.3232 -0.3232 0.0150 0.0150 0.0385 0.0385 0.0387 0.0387 6.4077 6.4077 7.0805 7.0805 7.5334 7.5334 7.5637 7.5637 9.9263 9.9263 9.9328 9.9328 9.9715 9.9715 k = 0.0366 0.0211 0.0149 ( 8765 PWs) bands (ev): -39.3117 -39.3117 -39.3041 -39.3041 -14.7787 -14.7787 -14.7786 -14.7786 -13.7525 -13.7525 -13.7375 -13.7375 -13.7374 -13.7374 -1.7810 -1.7810 -0.3233 -0.3233 -0.3231 -0.3231 0.0152 0.0152 0.0382 0.0382 0.0387 0.0387 6.3135 6.3135 7.0988 7.0988 7.5254 7.5254 7.5916 7.5916 9.9457 9.9457 9.9527 9.9527 10.0128 10.0128 k = 0.0488 0.0282 0.0199 ( 8747 PWs) bands (ev): -39.3117 -39.3117 -39.3041 -39.3041 -14.7787 -14.7787 -14.7786 -14.7786 -13.7524 -13.7524 -13.7375 -13.7375 -13.7374 -13.7374 -1.7727 -1.7727 -0.3234 -0.3234 -0.3230 -0.3230 0.0153 0.0153 0.0379 0.0379 0.0388 0.0388 6.1985 6.1985 7.1125 7.1125 7.5144 7.5144 7.6272 7.6272 9.9720 9.9720 9.9759 9.9759 10.0711 10.0711 k = 0.0610 0.0352 0.0249 ( 8741 PWs) bands (ev): -39.3117 -39.3117 -39.3042 -39.3042 -14.7787 -14.7787 -14.7785 -14.7785 -13.7524 -13.7524 -13.7375 -13.7375 -13.7374 -13.7374 -1.7619 -1.7619 -0.3236 -0.3236 -0.3228 -0.3228 0.0155 0.0155 0.0375 0.0375 0.0388 0.0388 6.0693 6.0693 7.1197 7.1197 7.5008 7.5008 7.6679 7.6679 10.0022 10.0022 10.0042 10.0042 10.1414 10.1414 k = 0.0732 0.0422 0.0299 ( 8738 PWs) bands (ev): -39.3116 -39.3116 -39.3042 -39.3042 -14.7786 -14.7786 -14.7785 -14.7785 -13.7523 -13.7523 -13.7375 -13.7375 -13.7373 -13.7373 -1.7488 -1.7488 -0.3237 -0.3237 -0.3227 -0.3227 0.0157 0.0157 0.0370 0.0370 0.0389 0.0389 5.9300 5.9300 7.1208 7.1208 7.4850 7.4850 7.7110 7.7110 10.0303 10.0303 10.0410 10.0410 10.2185 10.2185 k = 0.0854 0.0493 0.0349 ( 8744 PWs) bands (ev): -39.3116 -39.3116 -39.3042 -39.3042 -14.7786 -14.7786 -14.7784 -14.7784 -13.7522 -13.7522 -13.7375 -13.7375 -13.7372 -13.7372 -1.7334 -1.7334 -0.3239 -0.3239 -0.3225 -0.3225 0.0160 0.0160 0.0364 0.0364 0.0390 0.0390 5.7834 5.7834 7.1168 7.1168 7.4672 7.4672 7.7545 7.7545 10.0573 10.0573 10.0799 10.0799 10.2956 10.2956 k = 0.0976 0.0563 0.0398 ( 8744 PWs) bands (ev): -39.3116 -39.3116 -39.3043 -39.3043 -14.7786 -14.7786 -14.7784 -14.7784 -13.7521 -13.7521 -13.7375 -13.7375 -13.7372 -13.7372 -1.7155 -1.7155 -0.3241 -0.3241 -0.3223 -0.3223 0.0163 0.0163 0.0357 0.0357 0.0391 0.0391 5.6316 5.6316 7.1089 7.1089 7.4479 7.4479 7.7974 7.7974 10.0784 10.0784 10.1170 10.1170 10.3660 10.3660 k = 0.1098 0.0634 0.0448 ( 8747 PWs) bands (ev): -39.3115 -39.3115 -39.3043 -39.3043 -14.7786 -14.7786 -14.7783 -14.7783 -13.7520 -13.7520 -13.7375 -13.7375 -13.7371 -13.7371 -1.6954 -1.6954 -0.3244 -0.3244 -0.3221 -0.3221 0.0166 0.0166 0.0350 0.0350 0.0392 0.0392 5.4761 5.4761 7.0980 7.0980 7.4275 7.4275 7.8392 7.8392 10.0872 10.0872 10.1462 10.1462 10.4238 10.4238 k = 0.1220 0.0704 0.0498 ( 8759 PWs) bands (ev): -39.3115 -39.3115 -39.3044 -39.3044 -14.7786 -14.7786 -14.7782 -14.7782 -13.7519 -13.7519 -13.7375 -13.7375 -13.7370 -13.7370 -1.6729 -1.6729 -0.3246 -0.3246 -0.3218 -0.3218 0.0170 0.0170 0.0342 0.0342 0.0394 0.0394 5.3180 5.3180 7.0849 7.0849 7.4063 7.4063 7.8797 7.8797 10.0775 10.0775 10.1584 10.1584 10.4661 10.4661 k = 0.1341 0.0774 0.0548 ( 8750 PWs) bands (ev): -39.3114 -39.3114 -39.3044 -39.3044 -14.7786 -14.7786 -14.7781 -14.7781 -13.7518 -13.7518 -13.7375 -13.7375 -13.7369 -13.7369 -1.6481 -1.6481 -0.3249 -0.3249 -0.3215 -0.3215 0.0173 0.0173 0.0333 0.0333 0.0395 0.0395 5.1583 5.1583 7.0703 7.0703 7.3846 7.3846 7.9190 7.9190 10.0466 10.0466 10.1456 10.1456 10.4907 10.4907 k = 0.1463 0.0845 0.0597 ( 8750 PWs) bands (ev): -39.3113 -39.3113 -39.3045 -39.3045 -14.7786 -14.7786 -14.7780 -14.7780 -13.7517 -13.7517 -13.7375 -13.7375 -13.7368 -13.7368 -1.6210 -1.6210 -0.3252 -0.3252 -0.3213 -0.3213 0.0177 0.0177 0.0325 0.0325 0.0397 0.0397 4.9977 4.9977 7.0548 7.0548 7.3628 7.3628 7.9573 7.9573 9.9970 9.9970 10.1065 10.1065 10.4975 10.4975 k = 0.1585 0.0915 0.0647 ( 8762 PWs) bands (ev): -39.3113 -39.3113 -39.3046 -39.3046 -14.7785 -14.7785 -14.7779 -14.7779 -13.7516 -13.7516 -13.7375 -13.7375 -13.7367 -13.7367 -1.5917 -1.5917 -0.3256 -0.3256 -0.3210 -0.3210 0.0180 0.0180 0.0316 0.0316 0.0399 0.0399 4.8368 4.8368 7.0387 7.0387 7.3412 7.3412 7.9949 7.9949 9.9336 9.9336 10.0470 10.0470 10.4906 10.4906 k = 0.1707 0.0986 0.0697 ( 8762 PWs) bands (ev): -39.3112 -39.3112 -39.3046 -39.3046 -14.7785 -14.7785 -14.7778 -14.7778 -13.7515 -13.7515 -13.7375 -13.7375 -13.7365 -13.7365 -1.5601 -1.5601 -0.3259 -0.3259 -0.3206 -0.3206 0.0182 0.0182 0.0308 0.0308 0.0401 0.0401 4.6762 4.6762 7.0224 7.0224 7.3200 7.3200 8.0320 8.0320 9.8610 9.8610 9.9746 9.9746 10.4744 10.4744 k = 0.1829 0.1056 0.0747 ( 8744 PWs) bands (ev): -39.3111 -39.3111 -39.3047 -39.3047 -14.7785 -14.7785 -14.7776 -14.7776 -13.7513 -13.7513 -13.7375 -13.7375 -13.7364 -13.7364 -1.5263 -1.5263 -0.3263 -0.3263 -0.3203 -0.3203 0.0184 0.0184 0.0300 0.0300 0.0403 0.0403 4.5163 4.5163 7.0062 7.0062 7.2995 7.2995 8.0688 8.0688 9.7828 9.7828 9.8944 9.8944 10.4519 10.4519 k = 0.1951 0.1127 0.0797 ( 8762 PWs) bands (ev): -39.3110 -39.3110 -39.3048 -39.3048 -14.7785 -14.7785 -14.7775 -14.7775 -13.7512 -13.7512 -13.7375 -13.7375 -13.7363 -13.7363 -1.4904 -1.4904 -0.3267 -0.3267 -0.3200 -0.3200 0.0184 0.0184 0.0293 0.0293 0.0405 0.0405 4.3574 4.3574 6.9904 6.9904 7.2799 7.2799 8.1056 8.1056 9.7011 9.7011 9.8100 9.8100 10.4246 10.4246 k = 0.2073 0.1197 0.0846 ( 8762 PWs) bands (ev): -39.3109 -39.3109 -39.3049 -39.3049 -14.7784 -14.7784 -14.7774 -14.7774 -13.7510 -13.7510 -13.7375 -13.7375 -13.7361 -13.7361 -1.4524 -1.4524 -0.3271 -0.3271 -0.3197 -0.3197 0.0183 0.0183 0.0288 0.0288 0.0407 0.0407 4.2000 4.2000 6.9752 6.9752 7.2612 7.2612 8.1426 8.1426 9.6176 9.6176 9.7233 9.7233 10.3936 10.3936 k = 0.2195 0.1267 0.0896 ( 8759 PWs) bands (ev): -39.3108 -39.3108 -39.3050 -39.3050 -14.7784 -14.7784 -14.7772 -14.7772 -13.7509 -13.7509 -13.7375 -13.7375 -13.7360 -13.7360 -1.4123 -1.4123 -0.3276 -0.3276 -0.3194 -0.3194 0.0180 0.0180 0.0284 0.0284 0.0410 0.0410 4.0443 4.0443 6.9607 6.9607 7.2438 7.2438 8.1799 8.1799 9.5335 9.5335 9.6358 9.6358 10.3597 10.3597 k = 0.2317 0.1338 0.0946 ( 8771 PWs) bands (ev): -39.3107 -39.3107 -39.3051 -39.3051 -14.7784 -14.7784 -14.7771 -14.7771 -13.7508 -13.7508 -13.7375 -13.7375 -13.7359 -13.7359 -1.3702 -1.3702 -0.3280 -0.3280 -0.3190 -0.3190 0.0175 0.0175 0.0283 0.0283 0.0413 0.0413 3.8905 3.8905 6.9470 6.9470 7.2276 7.2276 8.2175 8.2175 9.4495 9.4495 9.5483 9.5483 10.3233 10.3233 k = 0.2439 0.1408 0.0996 ( 8783 PWs) bands (ev): -39.3106 -39.3106 -39.3052 -39.3052 -14.7784 -14.7784 -14.7770 -14.7770 -13.7506 -13.7506 -13.7375 -13.7375 -13.7357 -13.7357 -1.3261 -1.3261 -0.3285 -0.3285 -0.3187 -0.3187 0.0168 0.0168 0.0283 0.0283 0.0415 0.0415 3.7390 3.7390 6.9344 6.9344 7.2129 7.2129 8.2557 8.2557 9.3663 9.3663 9.4617 9.4617 10.2849 10.2849 k = 0.2561 0.1479 0.1046 ( 8777 PWs) bands (ev): -39.3105 -39.3105 -39.3053 -39.3053 -14.7783 -14.7783 -14.7768 -14.7768 -13.7505 -13.7505 -13.7375 -13.7375 -13.7356 -13.7356 -1.2803 -1.2803 -0.3290 -0.3290 -0.3184 -0.3184 0.0160 0.0160 0.0284 0.0284 0.0418 0.0418 3.5899 3.5899 6.9229 6.9229 7.1996 7.1996 8.2944 8.2944 9.2843 9.2843 9.3763 9.3763 10.2447 10.2447 k = 0.2683 0.1549 0.1095 ( 8777 PWs) bands (ev): -39.3104 -39.3104 -39.3054 -39.3054 -14.7783 -14.7783 -14.7767 -14.7767 -13.7503 -13.7503 -13.7375 -13.7375 -13.7354 -13.7354 -1.2327 -1.2327 -0.3295 -0.3295 -0.3181 -0.3181 0.0150 0.0150 0.0287 0.0287 0.0421 0.0421 3.4436 3.4436 6.9125 6.9125 7.1878 7.1878 8.3337 8.3337 9.2040 9.2040 9.2925 9.2925 10.2030 10.2030 k = 0.2805 0.1619 0.1145 ( 8771 PWs) bands (ev): -39.3103 -39.3103 -39.3055 -39.3055 -14.7783 -14.7783 -14.7765 -14.7765 -13.7502 -13.7502 -13.7375 -13.7375 -13.7353 -13.7353 -1.1834 -1.1834 -0.3300 -0.3300 -0.3178 -0.3178 0.0140 0.0140 0.0290 0.0290 0.0424 0.0424 3.3002 3.3002 6.9033 6.9033 7.1776 7.1776 8.3737 8.3737 9.1258 9.1258 9.2108 9.2108 10.1601 10.1601 k = 0.2927 0.1690 0.1195 ( 8766 PWs) bands (ev): -39.3102 -39.3102 -39.3056 -39.3056 -14.7783 -14.7783 -14.7764 -14.7764 -13.7500 -13.7500 -13.7375 -13.7375 -13.7352 -13.7352 -1.1327 -1.1327 -0.3305 -0.3305 -0.3176 -0.3176 0.0129 0.0129 0.0293 0.0293 0.0427 0.0427 3.1599 3.1599 6.8954 6.8954 7.1689 7.1689 8.4143 8.4143 9.0498 9.0498 9.1314 9.1314 10.1160 10.1160 k = 0.3049 0.1760 0.1245 ( 8772 PWs) bands (ev): -39.3101 -39.3101 -39.3057 -39.3057 -14.7783 -14.7783 -14.7763 -14.7763 -13.7499 -13.7499 -13.7375 -13.7375 -13.7350 -13.7350 -1.0806 -1.0806 -0.3310 -0.3310 -0.3173 -0.3173 0.0118 0.0118 0.0297 0.0297 0.0430 0.0430 3.0232 3.0232 6.8886 6.8886 7.1618 7.1618 8.4555 8.4555 8.9764 8.9764 9.0546 9.0546 10.0711 10.0711 k = 0.3171 0.1831 0.1294 ( 8766 PWs) bands (ev): -39.3099 -39.3099 -39.3058 -39.3058 -14.7782 -14.7782 -14.7761 -14.7761 -13.7498 -13.7498 -13.7375 -13.7375 -13.7349 -13.7349 -1.0274 -1.0274 -0.3314 -0.3314 -0.3171 -0.3171 0.0106 0.0106 0.0301 0.0301 0.0433 0.0433 2.8901 2.8901 6.8831 6.8831 7.1562 7.1562 8.4974 8.4974 8.9059 8.9059 8.9806 8.9806 10.0253 10.0253 k = 0.3293 0.1901 0.1344 ( 8766 PWs) bands (ev): -39.3098 -39.3098 -39.3059 -39.3059 -14.7782 -14.7782 -14.7760 -14.7760 -13.7497 -13.7497 -13.7375 -13.7375 -13.7348 -13.7348 -0.9732 -0.9732 -0.3319 -0.3319 -0.3168 -0.3168 0.0095 0.0095 0.0305 0.0305 0.0436 0.0436 2.7611 2.7611 6.8787 6.8787 7.1521 7.1521 8.5398 8.5398 8.8384 8.8384 8.9096 8.9096 9.9789 9.9789 k = 0.3415 0.1971 0.1394 ( 8766 PWs) bands (ev): -39.3097 -39.3097 -39.3061 -39.3061 -14.7782 -14.7782 -14.7759 -14.7759 -13.7495 -13.7495 -13.7375 -13.7375 -13.7346 -13.7346 -0.9184 -0.9184 -0.3324 -0.3324 -0.3167 -0.3167 0.0084 0.0084 0.0308 0.0308 0.0439 0.0439 2.6365 2.6365 6.8755 6.8755 7.1494 7.1494 8.5827 8.5827 8.7742 8.7742 8.8418 8.8418 9.9320 9.9320 k = 0.3537 0.2042 0.1444 ( 8754 PWs) bands (ev): -39.3096 -39.3096 -39.3062 -39.3062 -14.7782 -14.7782 -14.7758 -14.7758 -13.7494 -13.7494 -13.7374 -13.7374 -13.7345 -13.7345 -0.8633 -0.8633 -0.3328 -0.3328 -0.3165 -0.3165 0.0073 0.0073 0.0311 0.0311 0.0442 0.0442 2.5166 2.5166 6.8732 6.8732 7.1480 7.1480 8.6259 8.6259 8.7138 8.7138 8.7776 8.7776 9.8848 9.8848 k = 0.3659 0.2112 0.1494 ( 8769 PWs) bands (ev): -39.3094 -39.3094 -39.3063 -39.3063 -14.7781 -14.7781 -14.7757 -14.7757 -13.7493 -13.7493 -13.7374 -13.7374 -13.7344 -13.7344 -0.8082 -0.8082 -0.3333 -0.3333 -0.3164 -0.3164 0.0063 0.0063 0.0313 0.0313 0.0444 0.0444 2.4018 2.4018 6.8719 6.8719 7.1477 7.1477 8.6537 8.6537 8.6728 8.6728 8.7171 8.7171 9.8374 9.8374 k = 0.3780 0.2183 0.1543 ( 8772 PWs) bands (ev): -39.3093 -39.3093 -39.3065 -39.3065 -14.7781 -14.7781 -14.7756 -14.7756 -13.7492 -13.7492 -13.7374 -13.7374 -13.7343 -13.7343 -0.7537 -0.7537 -0.3337 -0.3337 -0.3163 -0.3163 0.0053 0.0053 0.0314 0.0314 0.0447 0.0447 2.2928 2.2928 6.8714 6.8714 7.1486 7.1486 8.6028 8.6028 8.6605 8.6605 8.7147 8.7147 9.7899 9.7899 k = 0.3902 0.2253 0.1593 ( 8772 PWs) bands (ev): -39.3092 -39.3092 -39.3066 -39.3066 -14.7781 -14.7781 -14.7755 -14.7755 -13.7491 -13.7491 -13.7374 -13.7374 -13.7342 -13.7342 -0.7002 -0.7002 -0.3340 -0.3340 -0.3162 -0.3162 0.0044 0.0044 0.0315 0.0315 0.0449 0.0449 2.1901 2.1901 6.8717 6.8717 7.1503 7.1503 8.5540 8.5540 8.6081 8.6081 8.7588 8.7588 9.7425 9.7425 k = 0.4024 0.2323 0.1643 ( 8763 PWs) bands (ev): -39.3090 -39.3090 -39.3067 -39.3067 -14.7781 -14.7781 -14.7754 -14.7754 -13.7491 -13.7491 -13.7374 -13.7374 -13.7341 -13.7341 -0.6483 -0.6483 -0.3344 -0.3344 -0.3162 -0.3162 0.0034 0.0034 0.0314 0.0314 0.0451 0.0451 2.0943 2.0943 6.8724 6.8724 7.1526 7.1526 8.5096 8.5096 8.5602 8.5602 8.8028 8.8028 9.6956 9.6956 k = 0.4146 0.2394 0.1693 ( 8757 PWs) bands (ev): -39.3089 -39.3089 -39.3068 -39.3068 -14.7781 -14.7781 -14.7753 -14.7753 -13.7490 -13.7490 -13.7374 -13.7374 -13.7341 -13.7341 -0.5989 -0.5989 -0.3347 -0.3347 -0.3163 -0.3163 0.0026 0.0026 0.0313 0.0313 0.0453 0.0453 2.0063 2.0063 6.8736 6.8736 7.1555 7.1555 8.4696 8.4696 8.5171 8.5171 8.8464 8.8464 9.6494 9.6494 k = 0.4268 0.2464 0.1743 ( 8775 PWs) bands (ev): -39.3087 -39.3087 -39.3070 -39.3070 -14.7781 -14.7781 -14.7753 -14.7753 -13.7489 -13.7489 -13.7374 -13.7374 -13.7340 -13.7340 -0.5528 -0.5528 -0.3350 -0.3350 -0.3165 -0.3165 0.0018 0.0018 0.0310 0.0310 0.0455 0.0455 1.9269 1.9269 6.8751 6.8751 7.1586 7.1586 8.4345 8.4345 8.4790 8.4790 8.8891 8.8891 9.6043 9.6043 k = 0.4390 0.2535 0.1792 ( 8754 PWs) bands (ev): -39.3086 -39.3086 -39.3071 -39.3071 -14.7781 -14.7781 -14.7752 -14.7752 -13.7489 -13.7489 -13.7374 -13.7374 -13.7339 -13.7339 -0.5109 -0.5109 -0.3352 -0.3352 -0.3168 -0.3168 0.0011 0.0011 0.0307 0.0307 0.0457 0.0457 1.8572 1.8572 6.8766 6.8766 7.1618 7.1618 8.4043 8.4043 8.4461 8.4461 8.9304 8.9304 9.5611 9.5611 k = 0.4512 0.2605 0.1842 ( 8754 PWs) bands (ev): -39.3084 -39.3084 -39.3073 -39.3073 -14.7781 -14.7781 -14.7752 -14.7752 -13.7488 -13.7488 -13.7374 -13.7374 -13.7339 -13.7339 -0.4743 -0.4743 -0.3354 -0.3354 -0.3172 -0.3172 0.0004 0.0004 0.0304 0.0304 0.0458 0.0458 1.7981 1.7981 6.8781 6.8781 7.1648 7.1648 8.3794 8.3794 8.4188 8.4188 8.9693 8.9693 9.5206 9.5206 k = 0.4634 0.2676 0.1892 ( 8766 PWs) bands (ev): -39.3083 -39.3083 -39.3074 -39.3074 -14.7780 -14.7780 -14.7751 -14.7751 -13.7488 -13.7488 -13.7374 -13.7374 -13.7338 -13.7338 -0.4440 -0.4440 -0.3356 -0.3356 -0.3177 -0.3177 -0.0002 -0.0002 0.0300 0.0300 0.0459 0.0459 1.7507 1.7507 6.8795 6.8795 7.1674 7.1674 8.3598 8.3598 8.3972 8.3972 9.0042 9.0042 9.4845 9.4845 k = 0.4756 0.2746 0.1942 ( 8772 PWs) bands (ev): -39.3082 -39.3082 -39.3076 -39.3076 -14.7780 -14.7780 -14.7751 -14.7751 -13.7488 -13.7488 -13.7374 -13.7374 -13.7338 -13.7338 -0.4212 -0.4212 -0.3357 -0.3357 -0.3184 -0.3184 -0.0006 -0.0006 0.0296 0.0296 0.0460 0.0460 1.7161 1.7161 6.8805 6.8805 7.1694 7.1694 8.3457 8.3457 8.3817 8.3817 9.0329 9.0329 9.4549 9.4549 k = 0.4878 0.2816 0.1991 ( 8754 PWs) bands (ev): -39.3080 -39.3080 -39.3077 -39.3077 -14.7780 -14.7780 -14.7751 -14.7751 -13.7488 -13.7488 -13.7374 -13.7374 -13.7338 -13.7338 -0.4069 -0.4069 -0.3357 -0.3357 -0.3190 -0.3190 -0.0009 -0.0009 0.0294 0.0294 0.0460 0.0460 1.6949 1.6949 6.8812 6.8812 7.1706 7.1706 8.3372 8.3372 8.3723 8.3723 9.0523 9.0523 9.4349 9.4349 k = 0.5000 0.2887 0.2041 ( 8754 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7488 -13.7488 -13.7373 -13.7373 -13.7338 -13.7338 -0.4020 -0.4020 -0.3358 -0.3358 -0.3192 -0.3192 -0.0010 -0.0010 0.0293 0.0293 0.0460 0.0460 1.6878 1.6878 6.8814 6.8814 7.1710 7.1710 8.3343 8.3343 8.3691 8.3691 9.0592 9.0592 9.4278 9.4278 k = 0.5000 0.2887 0.2041 ( 8754 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7488 -13.7488 -13.7373 -13.7373 -13.7338 -13.7338 -0.4020 -0.4020 -0.3358 -0.3358 -0.3192 -0.3192 -0.0010 -0.0010 0.0293 0.0293 0.0460 0.0460 1.6878 1.6878 6.8814 6.8814 7.1710 7.1710 8.3343 8.3343 8.3691 8.3691 9.0592 9.0592 9.4278 9.4278 k = 0.5043 0.2762 0.2112 ( 8756 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7488 -13.7488 -13.7373 -13.7373 -13.7338 -13.7338 -0.4047 -0.4047 -0.3343 -0.3343 -0.3179 -0.3179 -0.0005 -0.0005 0.0294 0.0294 0.0464 0.0464 1.6890 1.6890 6.8685 6.8685 7.1547 7.1547 8.3374 8.3374 8.3738 8.3738 9.0697 9.0697 9.4455 9.4455 k = 0.5086 0.2638 0.2182 ( 8760 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7487 -13.7487 -13.7373 -13.7373 -13.7338 -13.7338 -0.4118 -0.4118 -0.3315 -0.3315 -0.3132 -0.3132 0.0008 0.0008 0.0296 0.0296 0.0476 0.0476 1.6925 1.6925 6.8302 6.8302 7.1088 7.1088 8.3287 8.3287 8.4034 8.4034 9.1014 9.1014 9.4966 9.4966 k = 0.5129 0.2513 0.2252 ( 8750 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7487 -13.7487 -13.7373 -13.7373 -13.7338 -13.7338 -0.4214 -0.4214 -0.3295 -0.3295 -0.3049 -0.3049 0.0028 0.0028 0.0300 0.0300 0.0499 0.0499 1.6984 1.6984 6.7675 6.7675 7.0413 7.0413 8.3017 8.3017 8.4601 8.4601 9.1538 9.1538 9.5772 9.5772 k = 0.5172 0.2389 0.2323 ( 8754 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7487 -13.7487 -13.7373 -13.7373 -13.7338 -13.7338 -0.4323 -0.4323 -0.3284 -0.3284 -0.2945 -0.2945 0.0053 0.0053 0.0305 0.0305 0.0534 0.0534 1.7067 1.7067 6.6823 6.6823 6.9611 6.9611 8.2612 8.2612 8.5358 8.5358 9.2235 9.2235 9.6832 9.6832 k = 0.5216 0.2265 0.2393 ( 8750 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7779 -14.7779 -14.7751 -14.7751 -13.7487 -13.7487 -13.7373 -13.7373 -13.7339 -13.7339 -0.4437 -0.4437 -0.3277 -0.3277 -0.2830 -0.2830 0.0081 0.0081 0.0310 0.0310 0.0585 0.0585 1.7174 1.7174 6.5771 6.5771 6.8755 6.8755 8.2104 8.2104 8.6259 8.6259 9.3055 9.3055 9.8108 9.8108 k = 0.5259 0.2140 0.2464 ( 8762 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7779 -14.7779 -14.7751 -14.7751 -13.7486 -13.7486 -13.7373 -13.7373 -13.7339 -13.7339 -0.4551 -0.4551 -0.3272 -0.3272 -0.2713 -0.2713 0.0108 0.0108 0.0316 0.0316 0.0657 0.0657 1.7303 1.7303 6.4559 6.4559 6.7886 6.7886 8.1521 8.1521 8.7273 8.7273 9.3954 9.3954 9.9568 9.9568 k = 0.5302 0.2016 0.2534 ( 8760 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7779 -14.7779 -14.7751 -14.7751 -13.7486 -13.7486 -13.7372 -13.7372 -13.7339 -13.7339 -0.4665 -0.4665 -0.3267 -0.3267 -0.2597 -0.2597 0.0133 0.0133 0.0322 0.0322 0.0751 0.0751 1.7457 1.7457 6.3229 6.3229 6.7019 6.7019 8.0886 8.0886 8.8379 8.8379 9.4899 9.4899 10.1179 10.1179 k = 0.5345 0.1891 0.2604 ( 8771 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7778 -14.7778 -14.7751 -14.7751 -13.7485 -13.7485 -13.7372 -13.7372 -13.7339 -13.7339 -0.4776 -0.4776 -0.3262 -0.3262 -0.2486 -0.2486 0.0155 0.0155 0.0328 0.0328 0.0868 0.0868 1.7634 1.7634 6.1820 6.1820 6.6162 6.6162 8.0216 8.0216 8.9560 8.9560 9.5872 9.5872 10.2912 10.2912 k = 0.5388 0.1767 0.2675 ( 8765 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7778 -14.7778 -14.7751 -14.7751 -13.7485 -13.7485 -13.7372 -13.7372 -13.7340 -13.7340 -0.4884 -0.4884 -0.3258 -0.3258 -0.2381 -0.2381 0.0173 0.0173 0.0335 0.0335 0.1009 0.1009 1.7834 1.7834 6.0364 6.0364 6.5315 6.5315 7.9524 7.9524 9.0803 9.0803 9.6863 9.6863 10.4737 10.4737 k = 0.5431 0.1642 0.2745 ( 8767 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7777 -14.7777 -14.7752 -14.7752 -13.7484 -13.7484 -13.7371 -13.7371 -13.7340 -13.7340 -0.4988 -0.4988 -0.3253 -0.3253 -0.2282 -0.2282 0.0188 0.0188 0.0341 0.0341 0.1172 0.1172 1.8058 1.8058 5.8882 5.8882 6.4482 6.4482 7.8818 7.8818 9.2099 9.2099 9.7868 9.7868 10.6630 10.6630 k = 0.5474 0.1518 0.2816 ( 8771 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7777 -14.7777 -14.7752 -14.7752 -13.7483 -13.7483 -13.7371 -13.7371 -13.7341 -13.7341 -0.5088 -0.5088 -0.3248 -0.3248 -0.2192 -0.2192 0.0201 0.0201 0.0348 0.0348 0.1356 0.1356 1.8304 1.8304 5.7392 5.7392 6.3664 6.3664 7.8103 7.8103 9.3440 9.3440 9.8884 9.8884 10.8566 10.8566 k = 0.5517 0.1394 0.2886 ( 8761 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7776 -14.7776 -14.7752 -14.7752 -13.7483 -13.7483 -13.7370 -13.7370 -13.7341 -13.7341 -0.5184 -0.5184 -0.3243 -0.3243 -0.2108 -0.2108 0.0213 0.0213 0.0356 0.0356 0.1558 0.1558 1.8573 1.8573 5.5907 5.5907 6.2864 6.2864 7.7384 7.7384 9.4820 9.4820 9.9909 9.9909 11.0517 11.0517 k = 0.5560 0.1269 0.2956 ( 8757 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7775 -14.7775 -14.7752 -14.7752 -13.7482 -13.7482 -13.7370 -13.7370 -13.7341 -13.7341 -0.5275 -0.5275 -0.3238 -0.3238 -0.2032 -0.2032 0.0223 0.0223 0.0363 0.0363 0.1778 0.1778 1.8864 1.8864 5.4436 5.4436 6.2082 6.2082 7.6664 7.6664 9.6233 9.6233 10.0944 10.0944 11.2450 11.2450 k = 0.5603 0.1145 0.3027 ( 8760 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7774 -14.7774 -14.7752 -14.7752 -13.7481 -13.7481 -13.7369 -13.7369 -13.7342 -13.7342 -0.5362 -0.5362 -0.3233 -0.3233 -0.1964 -0.1964 0.0232 0.0232 0.0372 0.0372 0.2012 0.2012 1.9177 1.9177 5.2987 5.2987 6.1322 6.1322 7.5946 7.5946 9.7675 9.7675 10.1988 10.1988 11.4321 11.4321 k = 0.5647 0.1020 0.3097 ( 8756 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7774 -14.7774 -14.7753 -14.7753 -13.7480 -13.7480 -13.7369 -13.7369 -13.7342 -13.7342 -0.5445 -0.5445 -0.3228 -0.3228 -0.1901 -0.1901 0.0240 0.0240 0.0380 0.0380 0.2259 0.2259 1.9511 1.9511 5.1569 5.1569 6.0584 6.0584 7.5230 7.5230 9.9139 9.9139 10.3040 10.3040 11.6056 11.6056 k = 0.5690 0.0896 0.3167 ( 8750 PWs) bands (ev): -39.3079 -39.3079 -39.3077 -39.3077 -14.7773 -14.7773 -14.7753 -14.7753 -13.7480 -13.7480 -13.7368 -13.7368 -13.7343 -13.7343 -0.5524 -0.5524 -0.3222 -0.3222 -0.1845 -0.1845 0.0248 0.0248 0.0389 0.0389 0.2517 0.2517 1.9865 1.9865 5.0186 5.0186 5.9870 5.9870 7.4517 7.4517 10.0621 10.0621 10.4100 10.4100 11.7540 11.7540 k = 0.5733 0.0771 0.3238 ( 8751 PWs) bands (ev): -39.3080 -39.3080 -39.3077 -39.3077 -14.7772 -14.7772 -14.7753 -14.7753 -13.7479 -13.7479 -13.7367 -13.7367 -13.7343 -13.7343 -0.5599 -0.5599 -0.3217 -0.3217 -0.1794 -0.1794 0.0255 0.0255 0.0398 0.0398 0.2782 0.2782 2.0239 2.0239 4.8846 4.8846 5.9181 5.9181 7.3810 7.3810 10.2113 10.2113 10.5170 10.5170 11.8608 11.8608 k = 0.5776 0.0647 0.3308 ( 8748 PWs) bands (ev): -39.3080 -39.3080 -39.3077 -39.3077 -14.7771 -14.7771 -14.7753 -14.7753 -13.7478 -13.7478 -13.7367 -13.7367 -13.7343 -13.7343 -0.5671 -0.5671 -0.3212 -0.3212 -0.1749 -0.1749 0.0261 0.0261 0.0408 0.0408 0.3052 0.3052 2.0630 2.0630 4.7554 4.7554 5.8517 5.8517 7.3107 7.3107 10.3606 10.3606 10.6252 10.6252 11.9119 11.9119 k = 0.5819 0.0523 0.3379 ( 8749 PWs) bands (ev): -39.3080 -39.3080 -39.3077 -39.3077 -14.7771 -14.7771 -14.7754 -14.7754 -13.7478 -13.7478 -13.7366 -13.7366 -13.7344 -13.7344 -0.5739 -0.5739 -0.3206 -0.3206 -0.1708 -0.1708 0.0267 0.0267 0.0418 0.0418 0.3324 0.3324 2.1038 2.1038 4.6316 4.6316 5.7881 5.7881 7.2411 7.2411 10.5085 10.5085 10.7351 10.7351 11.9087 11.9087 k = 0.5862 0.0398 0.3449 ( 8750 PWs) bands (ev): -39.3080 -39.3080 -39.3077 -39.3077 -14.7770 -14.7770 -14.7754 -14.7754 -13.7477 -13.7477 -13.7366 -13.7366 -13.7344 -13.7344 -0.5804 -0.5804 -0.3201 -0.3201 -0.1672 -0.1672 0.0273 0.0273 0.0428 0.0428 0.3596 0.3596 2.1460 2.1460 4.5138 4.5138 5.7272 5.7272 7.1722 7.1722 10.6529 10.6529 10.8478 10.8478 11.8670 11.8670 k = 0.5905 0.0274 0.3519 ( 8751 PWs) bands (ev): -39.3080 -39.3080 -39.3076 -39.3076 -14.7769 -14.7769 -14.7754 -14.7754 -13.7476 -13.7476 -13.7365 -13.7365 -13.7344 -13.7344 -0.5867 -0.5867 -0.3196 -0.3196 -0.1640 -0.1640 0.0278 0.0278 0.0438 0.0438 0.3864 0.3864 2.1894 2.1894 4.4027 4.4027 5.6691 5.6691 7.1040 7.1040 10.7906 10.7906 10.9650 10.9650 11.8036 11.8036 k = 0.5948 0.0149 0.3590 ( 8751 PWs) bands (ev): -39.3081 -39.3081 -39.3076 -39.3076 -14.7768 -14.7768 -14.7754 -14.7754 -13.7476 -13.7476 -13.7365 -13.7365 -13.7345 -13.7345 -0.5927 -0.5927 -0.3191 -0.3191 -0.1611 -0.1611 0.0283 0.0283 0.0448 0.0448 0.4125 0.4125 2.2338 2.2338 4.2990 4.2990 5.6139 5.6139 7.0366 7.0366 10.9178 10.9178 11.0884 11.0884 11.7299 11.7299 k = 0.5991 0.0025 0.3660 ( 8747 PWs) bands (ev): -39.3081 -39.3081 -39.3076 -39.3076 -14.7768 -14.7768 -14.7755 -14.7755 -13.7475 -13.7475 -13.7365 -13.7365 -13.7345 -13.7345 -0.5985 -0.5985 -0.3186 -0.3186 -0.1586 -0.1586 0.0288 0.0288 0.0458 0.0458 0.4374 0.4374 2.2788 2.2788 4.2034 4.2034 5.5616 5.5616 6.9699 6.9699 11.0315 11.0315 11.2174 11.2174 11.6541 11.6541 k = 0.6034-0.0100 0.3731 ( 8753 PWs) bands (ev): -39.3081 -39.3081 -39.3075 -39.3075 -14.7767 -14.7767 -14.7755 -14.7755 -13.7475 -13.7475 -13.7364 -13.7364 -13.7345 -13.7345 -0.6041 -0.6041 -0.3181 -0.3181 -0.1565 -0.1565 0.0293 0.0293 0.0468 0.0468 0.4609 0.4609 2.3241 2.3241 4.1170 4.1170 5.5123 5.5123 6.9042 6.9042 11.1291 11.1291 11.3472 11.3472 11.5852 11.5852 k = 0.6078-0.0224 0.3801 ( 8759 PWs) bands (ev): -39.3082 -39.3082 -39.3075 -39.3075 -14.7767 -14.7767 -14.7755 -14.7755 -13.7474 -13.7474 -13.7364 -13.7364 -13.7345 -13.7345 -0.6096 -0.6096 -0.3176 -0.3176 -0.1548 -0.1548 0.0297 0.0297 0.0477 0.0477 0.4824 0.4824 2.3693 2.3693 4.0405 4.0405 5.4661 5.4661 6.8393 6.8393 11.2019 11.2019 11.4575 11.4575 11.5516 11.5516 k = 0.6121-0.0348 0.3871 ( 8748 PWs) bands (ev): -39.3082 -39.3082 -39.3075 -39.3075 -14.7766 -14.7766 -14.7755 -14.7755 -13.7474 -13.7474 -13.7364 -13.7364 -13.7345 -13.7345 -0.6150 -0.6150 -0.3172 -0.3172 -0.1533 -0.1533 0.0301 0.0301 0.0486 0.0486 0.5015 0.5015 2.4140 2.4140 3.9748 3.9748 5.4229 5.4229 6.7754 6.7754 11.2272 11.2272 11.4915 11.4915 11.6311 11.6311 k = 0.6164-0.0473 0.3942 ( 8752 PWs) bands (ev): -39.3082 -39.3082 -39.3074 -39.3074 -14.7766 -14.7766 -14.7756 -14.7756 -13.7474 -13.7474 -13.7364 -13.7364 -13.7345 -13.7345 -0.6204 -0.6204 -0.3168 -0.3168 -0.1522 -0.1522 0.0305 0.0305 0.0495 0.0495 0.5177 0.5177 2.4578 2.4578 3.9209 3.9209 5.3828 5.3828 6.7125 6.7125 11.1960 11.1960 11.5361 11.5361 11.7433 11.7433 k = 0.6207-0.0597 0.4012 ( 8758 PWs) bands (ev): -39.3083 -39.3083 -39.3074 -39.3074 -14.7765 -14.7765 -14.7756 -14.7756 -13.7474 -13.7474 -13.7364 -13.7364 -13.7345 -13.7345 -0.6258 -0.6258 -0.3164 -0.3164 -0.1515 -0.1515 0.0309 0.0309 0.0503 0.0503 0.5307 0.5307 2.5003 2.5003 3.8797 3.8797 5.3458 5.3458 6.6507 6.6507 11.1354 11.1354 11.6021 11.6021 11.8474 11.8474 k = 0.6250-0.0722 0.4082 ( 8744 PWs) bands (ev): -39.3083 -39.3083 -39.3073 -39.3073 -14.7765 -14.7765 -14.7756 -14.7756 -13.7473 -13.7473 -13.7364 -13.7364 -13.7345 -13.7345 -0.6313 -0.6313 -0.3161 -0.3161 -0.1511 -0.1511 0.0312 0.0312 0.0511 0.0511 0.5399 0.5399 2.5414 2.5414 3.8518 3.8518 5.3119 5.3119 6.5900 6.5900 11.0650 11.0650 11.6733 11.6733 11.9377 11.9377 k = 0.6250-0.0722 0.4082 ( 8744 PWs) bands (ev): -39.3083 -39.3083 -39.3073 -39.3073 -14.7765 -14.7765 -14.7756 -14.7756 -13.7473 -13.7473 -13.7364 -13.7364 -13.7345 -13.7345 -0.6313 -0.6313 -0.3161 -0.3161 -0.1511 -0.1511 0.0312 0.0312 0.0511 0.0511 0.5399 0.5399 2.5414 2.5414 3.8518 3.8518 5.3119 5.3119 6.5900 6.5900 11.0650 11.0650 11.6733 11.6733 11.9377 11.9377 k = 0.6176-0.0679 0.4203 ( 8754 PWs) bands (ev): -39.3083 -39.3083 -39.3073 -39.3073 -14.7765 -14.7765 -14.7756 -14.7756 -13.7474 -13.7474 -13.7364 -13.7364 -13.7345 -13.7345 -0.6311 -0.6311 -0.3161 -0.3161 -0.1510 -0.1510 0.0313 0.0313 0.0511 0.0511 0.5403 0.5403 2.5421 2.5421 3.8526 3.8526 5.2962 5.2962 6.6088 6.6088 11.0655 11.0655 11.5791 11.5791 12.0350 12.0350 k = 0.6103-0.0637 0.4323 ( 8749 PWs) bands (ev): -39.3083 -39.3083 -39.3073 -39.3073 -14.7765 -14.7765 -14.7756 -14.7756 -13.7473 -13.7473 -13.7364 -13.7364 -13.7345 -13.7345 -0.6307 -0.6307 -0.3161 -0.3161 -0.1509 -0.1509 0.0313 0.0313 0.0509 0.0509 0.5414 0.5414 2.5440 2.5440 3.8551 3.8551 5.2516 5.2516 6.6624 6.6624 11.0652 11.0652 11.4204 11.4204 12.2046 12.2046 k = 0.6029-0.0594 0.4443 ( 8747 PWs) bands (ev): -39.3083 -39.3083 -39.3073 -39.3073 -14.7765 -14.7765 -14.7756 -14.7756 -13.7473 -13.7473 -13.7364 -13.7364 -13.7345 -13.7345 -0.6300 -0.6300 -0.3162 -0.3162 -0.1508 -0.1508 0.0314 0.0314 0.0506 0.0506 0.5434 0.5434 2.5471 2.5471 3.8592 3.8592 5.1846 5.1846 6.7445 6.7445 11.0525 11.0525 11.2681 11.2681 12.3874 12.3874 k = 0.5956-0.0552 0.4563 ( 8753 PWs) bands (ev): -39.3083 -39.3083 -39.3074 -39.3074 -14.7765 -14.7765 -14.7756 -14.7756 -13.7473 -13.7473 -13.7363 -13.7363 -13.7345 -13.7345 -0.6290 -0.6290 -0.3163 -0.3163 -0.1506 -0.1506 0.0315 0.0315 0.0503 0.0503 0.5460 0.5460 2.5514 2.5514 3.8650 3.8650 5.1022 5.1022 6.8480 6.8480 10.9790 10.9790 11.1795 11.1795 12.5739 12.5739 k = 0.5882-0.0509 0.4683 ( 8749 PWs) bands (ev): -39.3083 -39.3083 -39.3074 -39.3074 -14.7764 -14.7764 -14.7756 -14.7756 -13.7473 -13.7473 -13.7363 -13.7363 -13.7345 -13.7345 -0.6278 -0.6278 -0.3164 -0.3164 -0.1503 -0.1503 0.0317 0.0317 0.0498 0.0498 0.5494 0.5494 2.5567 2.5567 3.8724 3.8724 5.0106 5.0106 6.9669 6.9669 10.8327 10.8327 11.1692 11.1692 12.7611 12.7611 k = 0.5809-0.0467 0.4803 ( 8743 PWs) bands (ev): -39.3083 -39.3083 -39.3074 -39.3074 -14.7764 -14.7764 -14.7757 -14.7757 -13.7473 -13.7473 -13.7363 -13.7363 -13.7345 -13.7345 -0.6264 -0.6264 -0.3166 -0.3166 -0.1500 -0.1500 0.0319 0.0319 0.0493 0.0493 0.5533 0.5533 2.5629 2.5629 3.8814 3.8814 4.9142 4.9142 7.0967 7.0967 10.6664 10.6664 11.1854 11.1854 12.9362 12.9362 k = 0.5735-0.0425 0.4923 ( 8743 PWs) bands (ev): -39.3082 -39.3082 -39.3074 -39.3074 -14.7764 -14.7764 -14.7757 -14.7757 -13.7473 -13.7473 -13.7363 -13.7363 -13.7346 -13.7346 -0.6248 -0.6248 -0.3167 -0.3167 -0.1496 -0.1496 0.0321 0.0321 0.0487 0.0487 0.5578 0.5578 2.5698 2.5698 3.8920 3.8920 4.8164 4.8164 7.2342 7.2342 10.4967 10.4967 11.2122 11.2122 12.8746 12.8746 k = 0.5662-0.0382 0.5043 ( 8745 PWs) bands (ev): -39.3082 -39.3082 -39.3074 -39.3074 -14.7763 -14.7763 -14.7757 -14.7757 -13.7473 -13.7473 -13.7362 -13.7362 -13.7346 -13.7346 -0.6231 -0.6231 -0.3169 -0.3169 -0.1492 -0.1492 0.0323 0.0323 0.0481 0.0481 0.5627 0.5627 2.5772 2.5772 3.9042 3.9042 4.7195 4.7195 7.3768 7.3768 10.3278 10.3278 11.2463 11.2463 12.7753 12.7753 k = 0.5588-0.0340 0.5163 ( 8751 PWs) bands (ev): -39.3082 -39.3082 -39.3075 -39.3075 -14.7763 -14.7763 -14.7757 -14.7757 -13.7472 -13.7472 -13.7362 -13.7362 -13.7346 -13.7346 -0.6214 -0.6214 -0.3170 -0.3170 -0.1488 -0.1488 0.0325 0.0325 0.0474 0.0474 0.5679 0.5679 2.5848 2.5848 3.9178 3.9178 4.6254 4.6254 7.5228 7.5228 10.1610 10.1610 11.2868 11.2868 12.6730 12.6730 k = 0.5515-0.0297 0.5283 ( 8747 PWs) bands (ev): -39.3082 -39.3082 -39.3075 -39.3075 -14.7763 -14.7763 -14.7757 -14.7757 -13.7472 -13.7472 -13.7362 -13.7362 -13.7347 -13.7347 -0.6196 -0.6196 -0.3172 -0.3172 -0.1483 -0.1483 0.0328 0.0328 0.0468 0.0468 0.5734 0.5734 2.5924 2.5924 3.9329 3.9329 4.5359 4.5359 7.6703 7.6703 9.9975 9.9975 11.3334 11.3334 12.5691 12.5691 k = 0.5441-0.0255 0.5403 ( 8756 PWs) bands (ev): -39.3081 -39.3081 -39.3075 -39.3075 -14.7762 -14.7762 -14.7758 -14.7758 -13.7472 -13.7472 -13.7362 -13.7362 -13.7347 -13.7347 -0.6179 -0.6179 -0.3174 -0.3174 -0.1479 -0.1479 0.0330 0.0330 0.0462 0.0462 0.5788 0.5788 2.5997 2.5997 3.9492 3.9492 4.4521 4.4521 7.8177 7.8177 9.8382 9.8382 11.3863 11.3863 12.4645 12.4645 k = 0.5368-0.0212 0.5523 ( 8758 PWs) bands (ev): -39.3081 -39.3081 -39.3076 -39.3076 -14.7762 -14.7762 -14.7758 -14.7758 -13.7472 -13.7472 -13.7361 -13.7361 -13.7347 -13.7347 -0.6163 -0.6163 -0.3175 -0.3175 -0.1474 -0.1474 0.0333 0.0333 0.0456 0.0456 0.5841 0.5841 2.6063 2.6063 3.9666 3.9666 4.3756 4.3756 7.9630 7.9630 9.6844 9.6844 11.4456 11.4456 12.3598 12.3598 k = 0.5294-0.0170 0.5643 ( 8752 PWs) bands (ev): -39.3080 -39.3080 -39.3076 -39.3076 -14.7762 -14.7762 -14.7758 -14.7758 -13.7472 -13.7472 -13.7361 -13.7361 -13.7347 -13.7347 -0.6149 -0.6149 -0.3176 -0.3176 -0.1470 -0.1470 0.0335 0.0335 0.0451 0.0451 0.5890 0.5890 2.6119 2.6119 3.9846 3.9846 4.3076 4.3076 8.1036 8.1036 9.5381 9.5381 11.5115 11.5115 12.2554 12.2554 k = 0.5221-0.0127 0.5764 ( 8756 PWs) bands (ev): -39.3080 -39.3080 -39.3077 -39.3077 -14.7761 -14.7761 -14.7759 -14.7759 -13.7472 -13.7472 -13.7361 -13.7361 -13.7348 -13.7348 -0.6136 -0.6136 -0.3177 -0.3177 -0.1467 -0.1467 0.0337 0.0337 0.0447 0.0447 0.5934 0.5934 2.6164 2.6164 4.0024 4.0024 4.2499 4.2499 8.2351 8.2351 9.4031 9.4031 11.5843 11.5843 12.1518 12.1518 k = 0.5147-0.0085 0.5884 ( 8756 PWs) bands (ev): -39.3079 -39.3079 -39.3077 -39.3077 -14.7761 -14.7761 -14.7759 -14.7759 -13.7472 -13.7472 -13.7361 -13.7361 -13.7348 -13.7348 -0.6127 -0.6127 -0.3178 -0.3178 -0.1464 -0.1464 0.0338 0.0338 0.0444 0.0444 0.5968 0.5968 2.6195 2.6195 4.0184 4.0184 4.2047 4.2047 8.3498 8.3498 9.2865 9.2865 11.6643 11.6643 12.0490 12.0490 k = 0.5074-0.0042 0.6004 ( 8760 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7761 -14.7761 -14.7759 -14.7759 -13.7472 -13.7472 -13.7360 -13.7360 -13.7348 -13.7348 -0.6121 -0.6121 -0.3179 -0.3179 -0.1462 -0.1462 0.0339 0.0339 0.0442 0.0442 0.5991 0.5991 2.6212 2.6212 4.0298 4.0298 4.1756 4.1756 8.4333 8.4333 9.2023 9.2023 11.7519 11.7519 11.9475 11.9475 k = 0.5000 0.0000 0.6124 ( 8760 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7760 -14.7760 -14.7759 -14.7759 -13.7472 -13.7472 -13.7360 -13.7360 -13.7348 -13.7348 -0.6119 -0.6119 -0.3179 -0.3179 -0.1461 -0.1461 0.0339 0.0339 0.0441 0.0441 0.5999 0.5999 2.6217 2.6217 4.0336 4.0336 4.1659 4.1659 8.4648 8.4648 9.1706 9.1706 11.8438 11.8438 11.8508 11.8508 k = 0.5000 0.0000 0.6124 ( 8760 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7760 -14.7760 -14.7759 -14.7759 -13.7472 -13.7472 -13.7360 -13.7360 -13.7348 -13.7348 -0.6119 -0.6119 -0.3179 -0.3179 -0.1461 -0.1461 0.0339 0.0339 0.0441 0.0441 0.5999 0.5999 2.6217 2.6217 4.0336 4.0336 4.1659 4.1659 8.4648 8.4648 9.1706 9.1706 11.8438 11.8438 11.8508 11.8508 k = 0.5000 0.0085 0.6004 ( 8756 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7761 -14.7761 -14.7759 -14.7759 -13.7472 -13.7472 -13.7360 -13.7360 -13.7348 -13.7348 -0.6117 -0.6117 -0.3179 -0.3179 -0.1462 -0.1462 0.0339 0.0339 0.0441 0.0441 0.5983 0.5983 2.6173 2.6173 4.0393 4.0393 4.1715 4.1715 8.4640 8.4640 9.1691 9.1691 11.8468 11.8468 11.8540 11.8540 k = 0.5000 0.0170 0.5884 ( 8754 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7761 -14.7761 -14.7759 -14.7759 -13.7472 -13.7472 -13.7361 -13.7361 -13.7348 -13.7348 -0.6111 -0.6111 -0.3179 -0.3179 -0.1465 -0.1465 0.0338 0.0338 0.0440 0.0440 0.5935 0.5935 2.6042 2.6042 4.0558 4.0558 4.1882 4.1882 8.4613 8.4613 9.1645 9.1645 11.8553 11.8553 11.8641 11.8641 k = 0.5000 0.0255 0.5764 ( 8758 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7762 -14.7762 -14.7758 -14.7758 -13.7472 -13.7472 -13.7361 -13.7361 -13.7348 -13.7348 -0.6102 -0.6102 -0.3180 -0.3180 -0.1471 -0.1471 0.0336 0.0336 0.0439 0.0439 0.5855 0.5855 2.5833 2.5833 4.0825 4.0825 4.2163 4.2163 8.4570 8.4570 9.1570 9.1570 11.8684 11.8684 11.8815 11.8815 k = 0.5000 0.0340 0.5643 ( 8754 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7762 -14.7762 -14.7758 -14.7758 -13.7472 -13.7472 -13.7361 -13.7361 -13.7348 -13.7348 -0.6089 -0.6089 -0.3181 -0.3181 -0.1478 -0.1478 0.0334 0.0334 0.0437 0.0437 0.5746 0.5746 2.5556 2.5556 4.1179 4.1179 4.2555 4.2555 8.4511 8.4511 9.1466 9.1466 11.8858 11.8858 11.9061 11.9061 k = 0.5000 0.0425 0.5523 ( 8760 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7763 -14.7763 -14.7757 -14.7757 -13.7472 -13.7472 -13.7361 -13.7361 -13.7348 -13.7348 -0.6073 -0.6073 -0.3183 -0.3183 -0.1487 -0.1487 0.0332 0.0332 0.0435 0.0435 0.5608 0.5608 2.5223 2.5223 4.1612 4.1612 4.3056 4.3056 8.4437 8.4437 9.1337 9.1337 11.9071 11.9071 11.9374 11.9374 k = 0.5000 0.0509 0.5403 ( 8758 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7764 -14.7764 -14.7757 -14.7757 -13.7473 -13.7473 -13.7362 -13.7362 -13.7347 -13.7347 -0.6052 -0.6052 -0.3185 -0.3185 -0.1499 -0.1499 0.0329 0.0329 0.0432 0.0432 0.5445 0.5445 2.4846 2.4846 4.2114 4.2114 4.3659 4.3659 8.4348 8.4348 9.1183 9.1183 11.9317 11.9317 11.9748 11.9748 k = 0.5000 0.0594 0.5283 ( 8762 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7764 -14.7764 -14.7757 -14.7757 -13.7473 -13.7473 -13.7362 -13.7362 -13.7347 -13.7347 -0.6028 -0.6028 -0.3187 -0.3187 -0.1513 -0.1513 0.0325 0.0325 0.0428 0.0428 0.5258 0.5258 2.4438 2.4438 4.2680 4.2680 4.4355 4.4355 8.4248 8.4248 9.1009 9.1009 11.9588 11.9588 12.0177 12.0177 k = 0.5000 0.0679 0.5163 ( 8752 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7765 -14.7765 -14.7756 -14.7756 -13.7473 -13.7473 -13.7362 -13.7362 -13.7347 -13.7347 -0.6000 -0.6000 -0.3190 -0.3190 -0.1529 -0.1529 0.0321 0.0321 0.0425 0.0425 0.5050 0.5050 2.4007 2.4007 4.3307 4.3307 4.5132 4.5132 8.4136 8.4136 9.0816 9.0816 11.9868 11.9868 12.0649 12.0649 k = 0.5000 0.0764 0.5043 ( 8752 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7766 -14.7766 -14.7756 -14.7756 -13.7474 -13.7474 -13.7363 -13.7363 -13.7346 -13.7346 -0.5968 -0.5968 -0.3192 -0.3192 -0.1547 -0.1547 0.0316 0.0316 0.0420 0.0420 0.4825 0.4825 2.3563 2.3563 4.3995 4.3995 4.5982 4.5982 8.4014 8.4014 9.0607 9.0607 12.0139 12.0139 12.1146 12.1146 k = 0.5000 0.0849 0.4923 ( 8754 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7767 -14.7767 -14.7755 -14.7755 -13.7474 -13.7474 -13.7363 -13.7363 -13.7346 -13.7346 -0.5932 -0.5932 -0.3195 -0.3195 -0.1569 -0.1569 0.0311 0.0311 0.0416 0.0416 0.4585 0.4585 2.3112 2.3112 4.4741 4.4741 4.6893 4.6893 8.3885 8.3885 9.0386 9.0386 12.0370 12.0370 12.1633 12.1633 k = 0.5000 0.0934 0.4803 ( 8758 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7767 -14.7767 -14.7755 -14.7755 -13.7475 -13.7475 -13.7364 -13.7364 -13.7346 -13.7346 -0.5892 -0.5892 -0.3199 -0.3199 -0.1593 -0.1593 0.0305 0.0305 0.0411 0.0411 0.4332 0.4332 2.2661 2.2661 4.5543 4.5543 4.7860 4.7860 8.3751 8.3751 9.0154 9.0154 12.0516 12.0516 12.2030 12.2030 k = 0.5000 0.1019 0.4683 ( 8754 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7768 -14.7768 -14.7755 -14.7755 -13.7476 -13.7476 -13.7364 -13.7364 -13.7345 -13.7345 -0.5848 -0.5848 -0.3202 -0.3202 -0.1620 -0.1620 0.0299 0.0299 0.0406 0.0406 0.4071 0.4071 2.2214 2.2214 4.6400 4.6400 4.8873 4.8873 8.3613 8.3613 8.9914 8.9914 12.0512 12.0512 12.2138 12.2138 k = 0.5000 0.1104 0.4563 ( 8754 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7769 -14.7769 -14.7754 -14.7754 -13.7476 -13.7476 -13.7365 -13.7365 -13.7345 -13.7345 -0.5800 -0.5800 -0.3206 -0.3206 -0.1650 -0.1650 0.0293 0.0293 0.0401 0.0401 0.3803 0.3803 2.1774 2.1774 4.7310 4.7310 4.9929 4.9929 8.3472 8.3472 8.9669 8.9669 12.0266 12.0266 12.1610 12.1610 k = 0.5000 0.1189 0.4443 ( 8756 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7770 -14.7770 -14.7754 -14.7754 -13.7477 -13.7477 -13.7366 -13.7366 -13.7344 -13.7344 -0.5747 -0.5747 -0.3210 -0.3210 -0.1684 -0.1684 0.0286 0.0286 0.0395 0.0395 0.3532 0.3532 2.1345 2.1345 4.8269 4.8269 5.1021 5.1021 8.3332 8.3332 8.9421 8.9421 11.9615 11.9615 12.0450 12.0450 k = 0.5000 0.1274 0.4323 ( 8748 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7771 -14.7771 -14.7754 -14.7754 -13.7478 -13.7478 -13.7366 -13.7366 -13.7344 -13.7344 -0.5690 -0.5690 -0.3214 -0.3214 -0.1721 -0.1721 0.0278 0.0278 0.0389 0.0389 0.3259 0.3259 2.0930 2.0930 4.9275 4.9275 5.2146 5.2146 8.3194 8.3194 8.9171 8.9171 11.8242 11.8242 11.9280 11.9280 k = 0.5000 0.1358 0.4203 ( 8740 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7771 -14.7771 -14.7753 -14.7753 -13.7478 -13.7478 -13.7367 -13.7367 -13.7344 -13.7344 -0.5628 -0.5628 -0.3218 -0.3218 -0.1763 -0.1763 0.0271 0.0271 0.0384 0.0384 0.2988 0.2988 2.0530 2.0530 5.0326 5.0326 5.3300 5.3300 8.3060 8.3060 8.8920 8.8920 11.6414 11.6414 11.8107 11.8107 k = 0.5000 0.1443 0.4082 ( 8762 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7772 -14.7772 -14.7753 -14.7753 -13.7479 -13.7479 -13.7368 -13.7368 -13.7343 -13.7343 -0.5562 -0.5562 -0.3223 -0.3223 -0.1809 -0.1809 0.0262 0.0262 0.0378 0.0378 0.2720 0.2720 2.0147 2.0147 5.1418 5.1418 5.4478 5.4478 8.2932 8.2932 8.8671 8.8671 11.4461 11.4461 11.6766 11.6766 k = 0.5000 0.1528 0.3962 ( 8746 PWs) bands (ev): -39.3078 -39.3078 -39.3078 -39.3078 -14.7773 -14.7773 -14.7753 -14.7753 -13.7480 -13.7480 -13.7368 -13.7368 -13.7343 -13.7343 -0.5492 -0.5492 -0.3227 -0.3227 -0.1860 -0.1860 0.0254 0.0254 0.0372 0.0372 0.2460 0.2460 1.9782 1.9782 5.2548 5.2548 5.5676 5.5676 8.2813 8.2813 8.8424 8.8424 11.2470 11.2470 11.5282 11.5282 k = 0.5000 0.1613 0.3842 ( 8758 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7774 -14.7774 -14.7753 -14.7753 -13.7480 -13.7480 -13.7369 -13.7369 -13.7342 -13.7342 -0.5417 -0.5417 -0.3232 -0.3232 -0.1916 -0.1916 0.0245 0.0245 0.0366 0.0366 0.2207 0.2207 1.9436 1.9436 5.3714 5.3714 5.6892 5.6892 8.2703 8.2703 8.8180 8.8180 11.0474 11.0474 11.3700 11.3700 k = 0.5000 0.1698 0.3722 ( 8756 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7775 -14.7775 -14.7752 -14.7752 -13.7481 -13.7481 -13.7369 -13.7369 -13.7342 -13.7342 -0.5337 -0.5337 -0.3237 -0.3237 -0.1979 -0.1979 0.0235 0.0235 0.0361 0.0361 0.1965 0.1965 1.9111 1.9111 5.4911 5.4911 5.8119 5.8119 8.2606 8.2606 8.7938 8.7938 10.8491 10.8491 11.2059 11.2059 k = 0.5000 0.1783 0.3602 ( 8766 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7775 -14.7775 -14.7752 -14.7752 -13.7482 -13.7482 -13.7370 -13.7370 -13.7341 -13.7341 -0.5252 -0.5252 -0.3241 -0.3241 -0.2048 -0.2048 0.0225 0.0225 0.0355 0.0355 0.1736 0.1736 1.8806 1.8806 5.6136 5.6136 5.9355 5.9355 8.2525 8.2525 8.7698 8.7698 10.6532 10.6532 11.0386 11.0386 k = 0.5000 0.1868 0.3482 ( 8760 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7776 -14.7776 -14.7752 -14.7752 -13.7483 -13.7483 -13.7370 -13.7370 -13.7341 -13.7341 -0.5163 -0.5163 -0.3246 -0.3246 -0.2124 -0.2124 0.0213 0.0213 0.0349 0.0349 0.1522 0.1522 1.8523 1.8523 5.7382 5.7382 6.0592 6.0592 8.2461 8.2461 8.7458 8.7458 10.4608 10.4608 10.8702 10.8702 k = 0.5000 0.1953 0.3362 ( 8754 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7777 -14.7777 -14.7752 -14.7752 -13.7483 -13.7483 -13.7371 -13.7371 -13.7340 -13.7340 -0.5069 -0.5069 -0.3250 -0.3250 -0.2207 -0.2207 0.0201 0.0201 0.0344 0.0344 0.1325 0.1325 1.8262 1.8262 5.8646 5.8646 6.1826 6.1826 8.2419 8.2419 8.7217 8.7217 10.2729 10.2729 10.7024 10.7024 k = 0.5000 0.2038 0.3242 ( 8762 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7777 -14.7777 -14.7752 -14.7752 -13.7484 -13.7484 -13.7371 -13.7371 -13.7340 -13.7340 -0.4971 -0.4971 -0.3254 -0.3254 -0.2297 -0.2297 0.0187 0.0187 0.0338 0.0338 0.1147 0.1147 1.8023 1.8023 5.9918 5.9918 6.3049 6.3049 8.2401 8.2401 8.6969 8.6969 10.0907 10.0907 10.5366 10.5366 k = 0.5000 0.2123 0.3122 ( 8768 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7778 -14.7778 -14.7751 -14.7751 -13.7485 -13.7485 -13.7372 -13.7372 -13.7340 -13.7340 -0.4869 -0.4869 -0.3259 -0.3259 -0.2395 -0.2395 0.0171 0.0171 0.0332 0.0332 0.0989 0.0989 1.7806 1.7806 6.1190 6.1190 6.4252 6.4252 8.2412 8.2412 8.6710 8.6710 9.9156 9.9156 10.3742 10.3742 k = 0.5000 0.2208 0.3002 ( 8764 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7778 -14.7778 -14.7751 -14.7751 -13.7485 -13.7485 -13.7372 -13.7372 -13.7339 -13.7339 -0.4762 -0.4762 -0.3263 -0.3263 -0.2499 -0.2499 0.0152 0.0152 0.0327 0.0327 0.0853 0.0853 1.7611 1.7611 6.2449 6.2449 6.5427 6.5427 8.2454 8.2454 8.6432 8.6432 9.7496 9.7496 10.2166 10.2166 k = 0.5000 0.2292 0.2882 ( 8764 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7779 -14.7779 -14.7751 -14.7751 -13.7486 -13.7486 -13.7372 -13.7372 -13.7339 -13.7339 -0.4653 -0.4653 -0.3267 -0.3267 -0.2609 -0.2609 0.0131 0.0131 0.0321 0.0321 0.0740 0.0740 1.7440 1.7440 6.3678 6.3678 6.6562 6.6562 8.2532 8.2532 8.6123 8.6123 9.5950 9.5950 10.0654 10.0654 k = 0.5000 0.2377 0.2762 ( 8768 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7779 -14.7779 -14.7751 -14.7751 -13.7486 -13.7486 -13.7373 -13.7373 -13.7339 -13.7339 -0.4541 -0.4541 -0.3272 -0.3272 -0.2723 -0.2723 0.0106 0.0106 0.0315 0.0315 0.0650 0.0650 1.7291 1.7291 6.4853 6.4853 6.7647 6.7647 8.2647 8.2647 8.5771 8.5771 9.4548 9.4548 9.9226 9.9226 k = 0.5000 0.2462 0.2642 ( 8758 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7487 -13.7487 -13.7373 -13.7373 -13.7339 -13.7339 -0.4428 -0.4428 -0.3277 -0.3277 -0.2839 -0.2839 0.0079 0.0079 0.0309 0.0309 0.0581 0.0581 1.7165 1.7165 6.5944 6.5944 6.8667 6.8667 8.2798 8.2798 8.5365 8.5365 9.3325 9.3325 9.7905 9.7905 k = 0.5000 0.2547 0.2522 ( 8754 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7487 -13.7487 -13.7373 -13.7373 -13.7338 -13.7338 -0.4316 -0.4316 -0.3285 -0.3285 -0.2951 -0.2951 0.0052 0.0052 0.0304 0.0304 0.0531 0.0531 1.7062 1.7062 6.6912 6.6912 6.9605 6.9605 8.2977 8.2977 8.4906 8.4906 9.2316 9.2316 9.6724 9.6724 k = 0.5000 0.2632 0.2401 ( 8756 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7487 -13.7487 -13.7373 -13.7373 -13.7338 -13.7338 -0.4209 -0.4209 -0.3296 -0.3296 -0.3054 -0.3054 0.0027 0.0027 0.0300 0.0300 0.0497 0.0497 1.6981 1.6981 6.7716 6.7716 7.0433 7.0433 8.3164 8.3164 8.4424 8.4424 9.1542 9.1542 9.5720 9.5720 k = 0.5000 0.2717 0.2281 ( 8758 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7487 -13.7487 -13.7373 -13.7373 -13.7338 -13.7338 -0.4115 -0.4115 -0.3316 -0.3316 -0.3134 -0.3134 0.0007 0.0007 0.0296 0.0296 0.0476 0.0476 1.6924 1.6924 6.8318 6.8318 7.1104 7.1104 8.3322 8.3322 8.3990 8.3990 9.1005 9.1005 9.4945 9.4945 k = 0.5000 0.2802 0.2161 ( 8756 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7488 -13.7488 -13.7373 -13.7373 -13.7338 -13.7338 -0.4046 -0.4046 -0.3343 -0.3343 -0.3179 -0.3179 -0.0005 -0.0005 0.0294 0.0294 0.0464 0.0464 1.6890 1.6890 6.8689 6.8689 7.1552 7.1552 8.3375 8.3375 8.3734 8.3734 9.0694 9.0694 9.4449 9.4449 k = 0.5000 0.2887 0.2041 ( 8754 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7488 -13.7488 -13.7373 -13.7373 -13.7338 -13.7338 -0.4020 -0.4020 -0.3358 -0.3358 -0.3192 -0.3192 -0.0010 -0.0010 0.0293 0.0293 0.0460 0.0460 1.6878 1.6878 6.8814 6.8814 7.1710 7.1710 8.3343 8.3343 8.3691 8.3691 9.0592 9.0592 9.4278 9.4278 k = 0.5000 0.2887 0.2041 ( 8754 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7488 -13.7488 -13.7373 -13.7373 -13.7338 -13.7338 -0.4020 -0.4020 -0.3358 -0.3358 -0.3192 -0.3192 -0.0010 -0.0010 0.0293 0.0293 0.0460 0.0460 1.6878 1.6878 6.8814 6.8814 7.1710 7.1710 8.3343 8.3343 8.3691 8.3691 9.0592 9.0592 9.4278 9.4278 k = 0.4957 0.2862 0.2182 ( 8756 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7488 -13.7488 -13.7373 -13.7373 -13.7338 -13.7338 -0.4047 -0.4047 -0.3343 -0.3343 -0.3179 -0.3179 -0.0005 -0.0005 0.0294 0.0294 0.0464 0.0464 1.6890 1.6890 6.8685 6.8685 7.1547 7.1547 8.3374 8.3374 8.3738 8.3738 9.0697 9.0697 9.4455 9.4455 k = 0.4914 0.2837 0.2323 ( 8760 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7487 -13.7487 -13.7373 -13.7373 -13.7338 -13.7338 -0.4118 -0.4118 -0.3315 -0.3315 -0.3132 -0.3132 0.0008 0.0008 0.0296 0.0296 0.0476 0.0476 1.6925 1.6925 6.8302 6.8302 7.1088 7.1088 8.3287 8.3287 8.4034 8.4034 9.1014 9.1014 9.4966 9.4966 k = 0.4871 0.2812 0.2464 ( 8750 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7487 -13.7487 -13.7373 -13.7373 -13.7338 -13.7338 -0.4214 -0.4214 -0.3295 -0.3295 -0.3049 -0.3049 0.0028 0.0028 0.0300 0.0300 0.0499 0.0499 1.6984 1.6984 6.7675 6.7675 7.0413 7.0413 8.3017 8.3017 8.4601 8.4601 9.1538 9.1538 9.5772 9.5772 k = 0.4828 0.2787 0.2604 ( 8754 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7780 -14.7780 -14.7751 -14.7751 -13.7487 -13.7487 -13.7373 -13.7373 -13.7338 -13.7338 -0.4323 -0.4323 -0.3284 -0.3284 -0.2945 -0.2945 0.0053 0.0053 0.0305 0.0305 0.0534 0.0534 1.7067 1.7067 6.6823 6.6823 6.9611 6.9611 8.2612 8.2612 8.5358 8.5358 9.2235 9.2235 9.6832 9.6832 k = 0.4784 0.2762 0.2745 ( 8750 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7779 -14.7779 -14.7751 -14.7751 -13.7487 -13.7487 -13.7373 -13.7373 -13.7339 -13.7339 -0.4437 -0.4437 -0.3277 -0.3277 -0.2830 -0.2830 0.0081 0.0081 0.0310 0.0310 0.0585 0.0585 1.7174 1.7174 6.5771 6.5771 6.8755 6.8755 8.2104 8.2104 8.6259 8.6259 9.3055 9.3055 9.8108 9.8108 k = 0.4741 0.2737 0.2886 ( 8762 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7779 -14.7779 -14.7751 -14.7751 -13.7486 -13.7486 -13.7373 -13.7373 -13.7339 -13.7339 -0.4551 -0.4551 -0.3272 -0.3272 -0.2713 -0.2713 0.0108 0.0108 0.0316 0.0316 0.0657 0.0657 1.7303 1.7303 6.4559 6.4559 6.7886 6.7886 8.1521 8.1521 8.7273 8.7273 9.3954 9.3954 9.9568 9.9568 k = 0.4698 0.2713 0.3027 ( 8760 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7779 -14.7779 -14.7751 -14.7751 -13.7486 -13.7486 -13.7372 -13.7372 -13.7339 -13.7339 -0.4665 -0.4665 -0.3267 -0.3267 -0.2597 -0.2597 0.0133 0.0133 0.0322 0.0322 0.0751 0.0751 1.7457 1.7457 6.3229 6.3229 6.7019 6.7019 8.0886 8.0886 8.8379 8.8379 9.4899 9.4899 10.1179 10.1179 k = 0.4655 0.2688 0.3167 ( 8771 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7778 -14.7778 -14.7751 -14.7751 -13.7485 -13.7485 -13.7372 -13.7372 -13.7339 -13.7339 -0.4776 -0.4776 -0.3262 -0.3262 -0.2486 -0.2486 0.0155 0.0155 0.0328 0.0328 0.0868 0.0868 1.7634 1.7634 6.1820 6.1820 6.6162 6.6162 8.0216 8.0216 8.9560 8.9560 9.5872 9.5872 10.2912 10.2912 k = 0.4612 0.2663 0.3308 ( 8765 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7778 -14.7778 -14.7751 -14.7751 -13.7485 -13.7485 -13.7372 -13.7372 -13.7340 -13.7340 -0.4884 -0.4884 -0.3258 -0.3258 -0.2381 -0.2381 0.0173 0.0173 0.0335 0.0335 0.1009 0.1009 1.7834 1.7834 6.0364 6.0364 6.5315 6.5315 7.9524 7.9524 9.0803 9.0803 9.6863 9.6863 10.4737 10.4737 k = 0.4569 0.2638 0.3449 ( 8767 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7777 -14.7777 -14.7752 -14.7752 -13.7484 -13.7484 -13.7371 -13.7371 -13.7340 -13.7340 -0.4988 -0.4988 -0.3253 -0.3253 -0.2282 -0.2282 0.0188 0.0188 0.0341 0.0341 0.1172 0.1172 1.8058 1.8058 5.8882 5.8882 6.4482 6.4482 7.8818 7.8818 9.2099 9.2099 9.7868 9.7868 10.6630 10.6630 k = 0.4526 0.2613 0.3590 ( 8771 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7777 -14.7777 -14.7752 -14.7752 -13.7483 -13.7483 -13.7371 -13.7371 -13.7341 -13.7341 -0.5088 -0.5088 -0.3248 -0.3248 -0.2192 -0.2192 0.0201 0.0201 0.0348 0.0348 0.1356 0.1356 1.8304 1.8304 5.7392 5.7392 6.3664 6.3664 7.8103 7.8103 9.3440 9.3440 9.8884 9.8884 10.8566 10.8566 k = 0.4483 0.2588 0.3731 ( 8761 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7776 -14.7776 -14.7752 -14.7752 -13.7483 -13.7483 -13.7370 -13.7370 -13.7341 -13.7341 -0.5184 -0.5184 -0.3243 -0.3243 -0.2108 -0.2108 0.0213 0.0213 0.0356 0.0356 0.1558 0.1558 1.8573 1.8573 5.5907 5.5907 6.2864 6.2864 7.7384 7.7384 9.4820 9.4820 9.9909 9.9909 11.0517 11.0517 k = 0.4440 0.2563 0.3871 ( 8757 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7775 -14.7775 -14.7752 -14.7752 -13.7482 -13.7482 -13.7370 -13.7370 -13.7341 -13.7341 -0.5275 -0.5275 -0.3238 -0.3238 -0.2032 -0.2032 0.0223 0.0223 0.0363 0.0363 0.1778 0.1778 1.8864 1.8864 5.4436 5.4436 6.2082 6.2082 7.6664 7.6664 9.6233 9.6233 10.0944 10.0944 11.2450 11.2450 k = 0.4397 0.2538 0.4012 ( 8760 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7774 -14.7774 -14.7752 -14.7752 -13.7481 -13.7481 -13.7369 -13.7369 -13.7342 -13.7342 -0.5362 -0.5362 -0.3233 -0.3233 -0.1964 -0.1964 0.0232 0.0232 0.0372 0.0372 0.2012 0.2012 1.9177 1.9177 5.2987 5.2987 6.1322 6.1322 7.5946 7.5946 9.7675 9.7675 10.1988 10.1988 11.4321 11.4321 k = 0.4353 0.2513 0.4153 ( 8756 PWs) bands (ev): -39.3079 -39.3079 -39.3078 -39.3078 -14.7774 -14.7774 -14.7753 -14.7753 -13.7480 -13.7480 -13.7369 -13.7369 -13.7342 -13.7342 -0.5445 -0.5445 -0.3228 -0.3228 -0.1901 -0.1901 0.0240 0.0240 0.0380 0.0380 0.2259 0.2259 1.9511 1.9511 5.1569 5.1569 6.0584 6.0584 7.5230 7.5230 9.9139 9.9139 10.3040 10.3040 11.6056 11.6056 k = 0.4310 0.2489 0.4294 ( 8750 PWs) bands (ev): -39.3079 -39.3079 -39.3077 -39.3077 -14.7773 -14.7773 -14.7753 -14.7753 -13.7480 -13.7480 -13.7368 -13.7368 -13.7343 -13.7343 -0.5524 -0.5524 -0.3222 -0.3222 -0.1845 -0.1845 0.0248 0.0248 0.0389 0.0389 0.2517 0.2517 1.9865 1.9865 5.0186 5.0186 5.9870 5.9870 7.4517 7.4517 10.0621 10.0621 10.4100 10.4100 11.7540 11.7540 k = 0.4267 0.2464 0.4434 ( 8751 PWs) bands (ev): -39.3080 -39.3080 -39.3077 -39.3077 -14.7772 -14.7772 -14.7753 -14.7753 -13.7479 -13.7479 -13.7367 -13.7367 -13.7343 -13.7343 -0.5599 -0.5599 -0.3217 -0.3217 -0.1794 -0.1794 0.0255 0.0255 0.0398 0.0398 0.2782 0.2782 2.0239 2.0239 4.8846 4.8846 5.9181 5.9181 7.3810 7.3810 10.2113 10.2113 10.5170 10.5170 11.8608 11.8608 k = 0.4224 0.2439 0.4575 ( 8748 PWs) bands (ev): -39.3080 -39.3080 -39.3077 -39.3077 -14.7771 -14.7771 -14.7753 -14.7753 -13.7478 -13.7478 -13.7367 -13.7367 -13.7343 -13.7343 -0.5671 -0.5671 -0.3212 -0.3212 -0.1749 -0.1749 0.0261 0.0261 0.0408 0.0408 0.3052 0.3052 2.0630 2.0630 4.7554 4.7554 5.8517 5.8517 7.3107 7.3107 10.3606 10.3606 10.6252 10.6252 11.9119 11.9119 k = 0.4181 0.2414 0.4716 ( 8749 PWs) bands (ev): -39.3080 -39.3080 -39.3077 -39.3077 -14.7771 -14.7771 -14.7754 -14.7754 -13.7478 -13.7478 -13.7366 -13.7366 -13.7344 -13.7344 -0.5739 -0.5739 -0.3206 -0.3206 -0.1708 -0.1708 0.0267 0.0267 0.0418 0.0418 0.3324 0.3324 2.1038 2.1038 4.6316 4.6316 5.7881 5.7881 7.2411 7.2411 10.5085 10.5085 10.7351 10.7351 11.9087 11.9087 k = 0.4138 0.2389 0.4857 ( 8750 PWs) bands (ev): -39.3080 -39.3080 -39.3077 -39.3077 -14.7770 -14.7770 -14.7754 -14.7754 -13.7477 -13.7477 -13.7366 -13.7366 -13.7344 -13.7344 -0.5804 -0.5804 -0.3201 -0.3201 -0.1672 -0.1672 0.0273 0.0273 0.0428 0.0428 0.3596 0.3596 2.1460 2.1460 4.5138 4.5138 5.7272 5.7272 7.1722 7.1722 10.6529 10.6529 10.8478 10.8478 11.8670 11.8670 k = 0.4095 0.2364 0.4998 ( 8751 PWs) bands (ev): -39.3080 -39.3080 -39.3076 -39.3076 -14.7769 -14.7769 -14.7754 -14.7754 -13.7476 -13.7476 -13.7365 -13.7365 -13.7344 -13.7344 -0.5867 -0.5867 -0.3196 -0.3196 -0.1640 -0.1640 0.0278 0.0278 0.0438 0.0438 0.3864 0.3864 2.1894 2.1894 4.4027 4.4027 5.6691 5.6691 7.1040 7.1040 10.7906 10.7906 10.9650 10.9650 11.8036 11.8036 k = 0.4052 0.2339 0.5138 ( 8751 PWs) bands (ev): -39.3081 -39.3081 -39.3076 -39.3076 -14.7768 -14.7768 -14.7754 -14.7754 -13.7476 -13.7476 -13.7365 -13.7365 -13.7345 -13.7345 -0.5927 -0.5927 -0.3191 -0.3191 -0.1611 -0.1611 0.0283 0.0283 0.0448 0.0448 0.4125 0.4125 2.2338 2.2338 4.2990 4.2990 5.6139 5.6139 7.0366 7.0366 10.9178 10.9178 11.0884 11.0884 11.7299 11.7299 k = 0.4009 0.2314 0.5279 ( 8747 PWs) bands (ev): -39.3081 -39.3081 -39.3076 -39.3076 -14.7768 -14.7768 -14.7755 -14.7755 -13.7475 -13.7475 -13.7365 -13.7365 -13.7345 -13.7345 -0.5985 -0.5985 -0.3186 -0.3186 -0.1586 -0.1586 0.0288 0.0288 0.0458 0.0458 0.4374 0.4374 2.2788 2.2788 4.2034 4.2034 5.5616 5.5616 6.9699 6.9699 11.0315 11.0315 11.2174 11.2174 11.6541 11.6541 k = 0.3966 0.2289 0.5420 ( 8753 PWs) bands (ev): -39.3081 -39.3081 -39.3075 -39.3075 -14.7767 -14.7767 -14.7755 -14.7755 -13.7475 -13.7475 -13.7364 -13.7364 -13.7345 -13.7345 -0.6041 -0.6041 -0.3181 -0.3181 -0.1565 -0.1565 0.0293 0.0293 0.0468 0.0468 0.4609 0.4609 2.3241 2.3241 4.1170 4.1170 5.5123 5.5123 6.9042 6.9042 11.1291 11.1291 11.3472 11.3472 11.5852 11.5852 k = 0.3922 0.2265 0.5561 ( 8759 PWs) bands (ev): -39.3082 -39.3082 -39.3075 -39.3075 -14.7767 -14.7767 -14.7755 -14.7755 -13.7474 -13.7474 -13.7364 -13.7364 -13.7345 -13.7345 -0.6096 -0.6096 -0.3176 -0.3176 -0.1548 -0.1548 0.0297 0.0297 0.0477 0.0477 0.4824 0.4824 2.3693 2.3693 4.0405 4.0405 5.4661 5.4661 6.8393 6.8393 11.2019 11.2019 11.4575 11.4575 11.5516 11.5516 k = 0.3879 0.2240 0.5701 ( 8748 PWs) bands (ev): -39.3082 -39.3082 -39.3075 -39.3075 -14.7766 -14.7766 -14.7755 -14.7755 -13.7474 -13.7474 -13.7364 -13.7364 -13.7345 -13.7345 -0.6150 -0.6150 -0.3172 -0.3172 -0.1533 -0.1533 0.0301 0.0301 0.0486 0.0486 0.5015 0.5015 2.4140 2.4140 3.9748 3.9748 5.4229 5.4229 6.7754 6.7754 11.2272 11.2272 11.4915 11.4915 11.6311 11.6311 k = 0.3836 0.2215 0.5842 ( 8752 PWs) bands (ev): -39.3082 -39.3082 -39.3074 -39.3074 -14.7766 -14.7766 -14.7756 -14.7756 -13.7474 -13.7474 -13.7364 -13.7364 -13.7345 -13.7345 -0.6204 -0.6204 -0.3168 -0.3168 -0.1522 -0.1522 0.0305 0.0305 0.0495 0.0495 0.5177 0.5177 2.4578 2.4578 3.9209 3.9209 5.3828 5.3828 6.7125 6.7125 11.1960 11.1960 11.5361 11.5361 11.7433 11.7433 k = 0.3793 0.2190 0.5983 ( 8758 PWs) bands (ev): -39.3083 -39.3083 -39.3074 -39.3074 -14.7765 -14.7765 -14.7756 -14.7756 -13.7474 -13.7474 -13.7364 -13.7364 -13.7345 -13.7345 -0.6258 -0.6258 -0.3164 -0.3164 -0.1515 -0.1515 0.0309 0.0309 0.0503 0.0503 0.5307 0.5307 2.5003 2.5003 3.8797 3.8797 5.3458 5.3458 6.6507 6.6507 11.1354 11.1354 11.6021 11.6021 11.8474 11.8474 k = 0.3750 0.2165 0.6124 ( 8744 PWs) bands (ev): -39.3083 -39.3083 -39.3073 -39.3073 -14.7765 -14.7765 -14.7756 -14.7756 -13.7473 -13.7473 -13.7364 -13.7364 -13.7345 -13.7345 -0.6313 -0.6313 -0.3161 -0.3161 -0.1511 -0.1511 0.0312 0.0312 0.0511 0.0511 0.5399 0.5399 2.5414 2.5414 3.8518 3.8518 5.3119 5.3119 6.5900 6.5900 11.0650 11.0650 11.6733 11.6733 11.9377 11.9377 k = 0.6250-0.0722 0.4082 ( 8744 PWs) bands (ev): -39.3083 -39.3083 -39.3073 -39.3073 -14.7765 -14.7765 -14.7756 -14.7756 -13.7473 -13.7473 -13.7364 -13.7364 -13.7345 -13.7345 -0.6313 -0.6313 -0.3161 -0.3161 -0.1511 -0.1511 0.0312 0.0312 0.0511 0.0511 0.5399 0.5399 2.5414 2.5414 3.8518 3.8518 5.3119 5.3119 6.5900 6.5900 11.0650 11.0650 11.6733 11.6733 11.9377 11.9377 k = 0.6176-0.0849 0.4082 ( 8760 PWs) bands (ev): -39.3084 -39.3084 -39.3073 -39.3073 -14.7765 -14.7765 -14.7756 -14.7756 -13.7473 -13.7473 -13.7364 -13.7364 -13.7344 -13.7344 -0.6408 -0.6408 -0.3155 -0.3155 -0.1508 -0.1508 0.0318 0.0318 0.0524 0.0524 0.5509 0.5509 2.6141 2.6141 3.8168 3.8168 5.2584 5.2584 6.4864 6.4864 10.9405 10.9405 11.7997 11.7997 12.0792 12.0792 k = 0.6103-0.0976 0.4082 ( 8756 PWs) bands (ev): -39.3085 -39.3085 -39.3072 -39.3072 -14.7764 -14.7764 -14.7757 -14.7757 -13.7473 -13.7473 -13.7364 -13.7364 -13.7344 -13.7344 -0.6506 -0.6506 -0.3150 -0.3150 -0.1506 -0.1506 0.0323 0.0323 0.0537 0.0537 0.5595 0.5595 2.6938 2.6938 3.7839 3.7839 5.2078 5.2078 6.3806 6.3806 10.8188 10.8188 11.9324 11.9324 12.2215 12.2215 k = 0.6029-0.1104 0.4082 ( 8756 PWs) bands (ev): -39.3085 -39.3085 -39.3071 -39.3071 -14.7764 -14.7764 -14.7757 -14.7757 -13.7473 -13.7473 -13.7365 -13.7365 -13.7344 -13.7344 -0.6603 -0.6603 -0.3144 -0.3144 -0.1506 -0.1506 0.0328 0.0328 0.0550 0.0550 0.5659 0.5659 2.7798 2.7798 3.7532 3.7532 5.1602 5.1602 6.2726 6.2726 10.7028 10.7028 12.0682 12.0682 12.3643 12.3643 k = 0.5956-0.1231 0.4082 ( 8776 PWs) bands (ev): -39.3086 -39.3086 -39.3070 -39.3070 -14.7763 -14.7763 -14.7757 -14.7757 -13.7474 -13.7474 -13.7365 -13.7365 -13.7343 -13.7343 -0.6700 -0.6700 -0.3139 -0.3139 -0.1507 -0.1507 0.0332 0.0332 0.0562 0.0562 0.5706 0.5706 2.8716 2.8716 3.7246 3.7246 5.1156 5.1156 6.1624 6.1624 10.5939 10.5939 12.2057 12.2057 12.5070 12.5070 k = 0.5882-0.1358 0.4082 ( 8780 PWs) bands (ev): -39.3087 -39.3087 -39.3070 -39.3070 -14.7763 -14.7763 -14.7758 -14.7758 -13.7474 -13.7474 -13.7365 -13.7365 -13.7343 -13.7343 -0.6795 -0.6795 -0.3135 -0.3135 -0.1508 -0.1508 0.0336 0.0336 0.0574 0.0574 0.5739 0.5739 2.9683 2.9683 3.6982 3.6982 5.0740 5.0740 6.0503 6.0503 10.4925 10.4925 12.3437 12.3437 12.6491 12.6491 k = 0.5809-0.1486 0.4082 ( 8764 PWs) bands (ev): -39.3087 -39.3087 -39.3069 -39.3069 -14.7763 -14.7763 -14.7758 -14.7758 -13.7474 -13.7474 -13.7365 -13.7365 -13.7343 -13.7343 -0.6887 -0.6887 -0.3131 -0.3131 -0.1510 -0.1510 0.0339 0.0339 0.0585 0.0585 0.5760 0.5760 3.0692 3.0692 3.6741 3.6741 5.0355 5.0355 5.9363 5.9363 10.3991 10.3991 12.4815 12.4815 12.7900 12.7900 k = 0.5735-0.1613 0.4082 ( 8762 PWs) bands (ev): -39.3088 -39.3088 -39.3069 -39.3069 -14.7763 -14.7763 -14.7758 -14.7758 -13.7474 -13.7474 -13.7366 -13.7366 -13.7342 -13.7342 -0.6975 -0.6975 -0.3127 -0.3127 -0.1512 -0.1512 0.0343 0.0343 0.0596 0.0596 0.5772 0.5772 3.1737 3.1737 3.6523 3.6523 5.0001 5.0001 5.8208 5.8208 10.3137 10.3137 12.6180 12.6180 12.9291 12.9291 k = 0.5662-0.1741 0.4082 ( 8766 PWs) bands (ev): -39.3088 -39.3088 -39.3068 -39.3068 -14.7763 -14.7763 -14.7758 -14.7758 -13.7474 -13.7474 -13.7366 -13.7366 -13.7342 -13.7342 -0.7057 -0.7057 -0.3123 -0.3123 -0.1514 -0.1514 0.0345 0.0345 0.0606 0.0606 0.5778 0.5778 3.2807 3.2807 3.6331 3.6331 4.9677 4.9677 5.7043 5.7043 10.2366 10.2366 12.7520 12.7520 13.0655 13.0655 k = 0.5588-0.1868 0.4082 ( 8774 PWs) bands (ev): -39.3089 -39.3089 -39.3068 -39.3068 -14.7762 -14.7762 -14.7758 -14.7758 -13.7474 -13.7474 -13.7366 -13.7366 -13.7341 -13.7341 -0.7133 -0.7133 -0.3120 -0.3120 -0.1515 -0.1515 0.0348 0.0348 0.0616 0.0616 0.5779 0.5779 3.3887 3.3887 3.6173 3.6173 4.9381 4.9381 5.5872 5.5872 10.1677 10.1677 12.8821 12.8821 13.1981 13.1981 k = 0.5515-0.1995 0.4082 ( 8770 PWs) bands (ev): -39.3089 -39.3089 -39.3067 -39.3067 -14.7762 -14.7762 -14.7758 -14.7758 -13.7474 -13.7474 -13.7367 -13.7367 -13.7341 -13.7341 -0.7202 -0.7202 -0.3117 -0.3117 -0.1517 -0.1517 0.0350 0.0350 0.0624 0.0624 0.5776 0.5776 3.4926 3.4926 3.6092 3.6092 4.9114 4.9114 5.4705 5.4705 10.1070 10.1070 13.0065 13.0065 13.3257 13.3257 k = 0.5441-0.2123 0.4082 ( 8772 PWs) bands (ev): -39.3090 -39.3090 -39.3067 -39.3067 -14.7762 -14.7762 -14.7759 -14.7759 -13.7474 -13.7474 -13.7367 -13.7367 -13.7341 -13.7341 -0.7264 -0.7264 -0.3115 -0.3115 -0.1519 -0.1519 0.0352 0.0352 0.0632 0.0632 0.5772 0.5772 3.5566 3.5566 3.6434 3.6434 4.8871 4.8871 5.3554 5.3554 10.0546 10.0546 13.1230 13.1230 13.4466 13.4466 k = 0.5368-0.2250 0.4082 ( 8770 PWs) bands (ev): -39.3090 -39.3090 -39.3067 -39.3067 -14.7762 -14.7762 -14.7759 -14.7759 -13.7474 -13.7474 -13.7367 -13.7367 -13.7341 -13.7341 -0.7317 -0.7317 -0.3112 -0.3112 -0.1520 -0.1520 0.0354 0.0354 0.0639 0.0639 0.5767 0.5767 3.5599 3.5599 3.7393 3.7393 4.8646 4.8646 5.2440 5.2440 10.0103 10.0103 13.2291 13.2291 13.5587 13.5587 k = 0.5294-0.2377 0.4082 ( 8776 PWs) bands (ev): -39.3090 -39.3090 -39.3066 -39.3066 -14.7762 -14.7762 -14.7759 -14.7759 -13.7474 -13.7474 -13.7367 -13.7367 -13.7340 -13.7340 -0.7361 -0.7361 -0.3111 -0.3111 -0.1521 -0.1521 0.0355 0.0355 0.0644 0.0644 0.5762 0.5762 3.5537 3.5537 3.8434 3.8434 4.8427 4.8427 5.1396 5.1396 9.9742 9.9742 13.3219 13.3219 13.6593 13.6593 k = 0.5221-0.2505 0.4082 ( 8760 PWs) bands (ev): -39.3090 -39.3090 -39.3066 -39.3066 -14.7762 -14.7762 -14.7759 -14.7759 -13.7475 -13.7475 -13.7367 -13.7367 -13.7340 -13.7340 -0.7396 -0.7396 -0.3109 -0.3109 -0.1522 -0.1522 0.0357 0.0357 0.0648 0.0648 0.5757 0.5757 3.5476 3.5476 3.9424 3.9424 4.8189 4.8189 5.0485 5.0485 9.9461 9.9461 13.3984 13.3984 13.7446 13.7446 k = 0.5147-0.2632 0.4082 ( 8764 PWs) bands (ev): -39.3091 -39.3091 -39.3066 -39.3066 -14.7762 -14.7762 -14.7759 -14.7759 -13.7475 -13.7475 -13.7367 -13.7367 -13.7340 -13.7340 -0.7421 -0.7421 -0.3108 -0.3108 -0.1523 -0.1523 0.0357 0.0357 0.0651 0.0651 0.5753 0.5753 3.5429 3.5429 4.0284 4.0284 4.7905 4.7905 4.9799 4.9799 9.9261 9.9261 13.4556 13.4556 13.8104 13.8104 k = 0.5074-0.2759 0.4082 ( 8744 PWs) bands (ev): -39.3090 -39.3090 -39.3066 -39.3066 -14.7762 -14.7762 -14.7758 -14.7758 -13.7475 -13.7475 -13.7367 -13.7367 -13.7340 -13.7340 -0.7436 -0.7436 -0.3108 -0.3108 -0.1523 -0.1523 0.0358 0.0358 0.0653 0.0653 0.5751 0.5751 3.5400 3.5400 4.0902 4.0902 4.7614 4.7614 4.9407 4.9407 9.9141 9.9141 13.4910 13.4910 13.8523 13.8523 k = 0.5000-0.2887 0.4082 ( 8744 PWs) bands (ev): -39.3090 -39.3090 -39.3066 -39.3066 -14.7762 -14.7762 -14.7758 -14.7758 -13.7475 -13.7475 -13.7367 -13.7367 -13.7340 -13.7340 -0.7441 -0.7441 -0.3108 -0.3108 -0.1524 -0.1524 0.0358 0.0358 0.0654 0.0654 0.5750 0.5750 3.5390 3.5390 4.1133 4.1133 4.7482 4.7482 4.9286 4.9286 9.9102 9.9102 13.5030 13.5030 13.8667 13.8667 Writing output data file Li2ZnSn.save init_run : 0.28s CPU 0.43s WALL ( 1 calls) electrons : 147.37s CPU 149.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 147.36s CPU 149.20s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.10s WALL ( 317 calls) cegterg : 128.32s CPU 129.50s WALL ( 359 calls) Called by sum_band: Called by *egterg: h_psi : 98.96s CPU 100.28s WALL ( 5807 calls) s_psi : 3.69s CPU 3.73s WALL ( 5807 calls) g_psi : 0.30s CPU 0.29s WALL ( 5131 calls) cdiaghg : 24.60s CPU 25.01s WALL ( 5448 calls) cegterg:over : 5.20s CPU 5.17s WALL ( 5131 calls) cegterg:upda : 5.50s CPU 5.30s WALL ( 5131 calls) cegterg:last : 2.94s CPU 2.87s WALL ( 993 calls) cdiaghg:chol : 1.60s CPU 1.48s WALL ( 5448 calls) cdiaghg:inve : 0.78s CPU 0.70s WALL ( 5448 calls) cdiaghg:para : 1.48s CPU 1.48s WALL ( 10896 calls) Called by h_psi: h_psi:vloc : 91.76s CPU 93.07s WALL ( 5807 calls) h_psi:vnl : 6.88s CPU 6.90s WALL ( 5807 calls) add_vuspsi : 3.32s CPU 3.37s WALL ( 5807 calls) General routines calbec : 3.55s CPU 3.52s WALL ( 5807 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 86.96s CPU 88.26s WALL ( 505668 calls) davcio : 0.23s CPU 0.32s WALL ( 634 calls) Parallel routines fft_scatter : 27.58s CPU 28.00s WALL ( 505683 calls) PWSCF : 2m47.65s CPU 3m 5.20s WALL This run was terminated on: 20:19:58 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=